tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate

C17H29N5O2 — CID 133299291

IUPACtert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
SMILESCC1CCCN(c2cc(NCCNC(=O)OC(C)(C)C)ncn2)C1
InChIInChI=1S/C17H29N5O2/c1-13-6-5-9-22(11-13)15-10-14(20-12-21-15)18-7-8-19-16(23)24-17(2,3)4/h10,12-13H,5-9,11H2,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyMTZFPAZHOZAUFP-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.65
Rot. Bonds5

About tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate (PubChem CID 133299291) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
PubChem CID133299291
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Nametert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
SMILESCC1CCCN(c2cc(NCCNC(=O)OC(C)(C)C)ncn2)C1
InChIInChI=1S/C17H29N5O2/c1-13-6-5-9-22(11-13)15-10-14(20-12-21-15)18-7-8-19-16(23)24-17(2,3)4/h10,12-13H,5-9,11H2,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyMTZFPAZHOZAUFP-UHFFFAOYSA-N
XLogP2.65
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 1'-pyrimidin-4-yl-4,4'-bipiperidine-1-carboxylate
CID 54586777
tert-Butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate
CID 21934614
Tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate
CID 49857006
Tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 49857007
tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 22309472
Tert-butyl 4-{[(2-chloropyrimidin-4-yl)(methyl)amino]methyl}piperidine-1-carboxylate
CID 71647831
Tert-butyl 4-[2-(pyrimidin-2-ylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 53501656
7-[6-(Isopropylamino)-4-pyrimidinyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56883748
N-ethyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188586
N-propyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188722
tert-Butyl 4-((2-chloropyrimidin-4-yl)amino)piperidine-1-carboxylate
CID 22309647
tert-butyl N-(3-((6-fluoropyrimidin-4-yl)amino)propyl)carbamate
CID 114518267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate (CID 133299291) is tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate is CC1CCCN(c2cc(NCCNC(=O)OC(C)(C)C)ncn2)C1.
What is the InChIKey of tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate?
The InChIKey is MTZFPAZHOZAUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13-6-5-9-22(11-13)15-10-14(20-12-21-15)18-7-8-19-16(23)24-17(2,3)4/h10,12-13H,5-9,11H2,1-4H3,(H,19,23)(H,18,20,21).
What are the key properties of tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate has a molecular weight of 335.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 133299291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).