[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate

C26H32N4O4 — CID 175327963

IUPAC[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(COC(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C26H32N4O4/c1-26(2,3)29-25(31)34-18-21-14-15-27-24(28-21)30(16-19-6-10-22(32-4)11-7-19)17-20-8-12-23(33-5)13-9-20/h6-15H,16-18H2,1-5H3,(H,29,31)
InChIKeyRPPKNSWEKAPVBX-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.73
Rot. Bonds9

About [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate

[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate (PubChem CID 175327963) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate
PubChem CID175327963
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(COC(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C26H32N4O4/c1-26(2,3)29-25(31)34-18-21-14-15-27-24(28-21)30(16-19-6-10-22(32-4)11-7-19)17-20-8-12-23(33-5)13-9-20/h6-15H,16-18H2,1-5H3,(H,29,31)
InChIKeyRPPKNSWEKAPVBX-UHFFFAOYSA-N
XLogP4.73
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl carbamate
CID 175409490
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
pyridin-4-ylmethyl N-tert-butylcarbamate
CID 59402004
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
pyrazin-2-ylmethyl N-tert-butylcarbamate
CID 174542549
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
(4-methoxyphenyl)methyl N-[[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 4247704
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480

Frequently Asked Questions

What is the IUPAC name of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate (CID 175327963) is [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate is COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(COC(=O)NC(C)(C)C)n2)cc1.
What is the InChIKey of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate?
The InChIKey is RPPKNSWEKAPVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-26(2,3)29-25(31)34-18-21-14-15-27-24(28-21)30(16-19-6-10-22(32-4)11-7-19)17-20-8-12-23(33-5)13-9-20/h6-15H,16-18H2,1-5H3,(H,29,31).
What are the key properties of [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate?
[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate has a molecular weight of 464.57 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-4-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 175327963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).