tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate

C24H41N5O2 — CID 177361527

IUPACtert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCc1nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc(C)c1CN1CCC(C)(C)C1
InChIInChI=1S/C24H41N5O2/c1-17-20(15-28-14-11-24(6,7)16-28)18(2)26-21(25-17)29-12-9-19(10-13-29)27(8)22(30)31-23(3,4)5/h19H,9-16H2,1-8H3
InChIKeyUBHJIFMCAVXMHU-UHFFFAOYSA-N
MW431.63 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 177361527) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate
PubChem CID177361527
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC Nametert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCc1nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc(C)c1CN1CCC(C)(C)C1
InChIInChI=1S/C24H41N5O2/c1-17-20(15-28-14-11-24(6,7)16-28)18(2)26-21(25-17)29-12-9-19(10-13-29)27(8)22(30)31-23(3,4)5/h19H,9-16H2,1-8H3
InChIKeyUBHJIFMCAVXMHU-UHFFFAOYSA-N
XLogP4.16
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate with MolForge

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Related Compounds

7-(2-Amino-6-ethyl-5-methylpyrimidin-4-YL)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 72873136
tert-butyl 2-tert-butyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 66969895
tert-butyl 2-propyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 66970065
tert-butyl 4-[(3S)-3-fluoropyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599640
tert-butyl 4-[(3R)-3-fluoropyrrolidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599647
tert-butyl 4-(3-fluoropyrrolidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 176372354
tert-butyl (3R)-4-[5-(2-cyanopropan-2-yl)-4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-propan-2-ylpiperazine-1-carboxylate
CID 150371570
tert-butyl2-amino-4-(trifluoromethyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 154853427
Tert-butyl 3-[5-ethyl-6-methyl-2-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 163222814
tert-butyl 2-(diaminomethylideneamino)-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 57717414
6-Boc-2-chloro-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83844803
tert-Butyl 2-amino-4-methyl-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 91029967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate (CID 177361527) is tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate is Cc1nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc(C)c1CN1CCC(C)(C)C1.
What is the InChIKey of tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is UBHJIFMCAVXMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-17-20(15-28-14-11-24(6,7)16-28)18(2)26-21(25-17)29-12-9-19(10-13-29)27(8)22(30)31-23(3,4)5/h19H,9-16H2,1-8H3.
What are the key properties of tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 431.63 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 177361527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).