N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C17H28N4 — CID 103502946

IUPACN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(N2CCC(C(C)C)CC2)ncc1CNC1CC1
InChIInChI=1S/C17H28N4/c1-12(2)14-6-8-21(9-7-14)17-19-11-15(13(3)20-17)10-18-16-4-5-16/h11-12,14,16,18H,4-10H2,1-3H3
InChIKeyAIBCHEBVLWIRCK-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.91
Rot. Bonds5

About N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 103502946) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID103502946
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(N2CCC(C(C)C)CC2)ncc1CNC1CC1
InChIInChI=1S/C17H28N4/c1-12(2)14-6-8-21(9-7-14)17-19-11-15(13(3)20-17)10-18-16-4-5-16/h11-12,14,16,18H,4-10H2,1-3H3
InChIKeyAIBCHEBVLWIRCK-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103503036
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186135
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83189314
N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114412620
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186302
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83189031
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
1-[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186471

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 103502946) is N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(N2CCC(C(C)C)CC2)ncc1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is AIBCHEBVLWIRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-12(2)14-6-8-21(9-7-14)17-19-11-15(13(3)20-17)10-18-16-4-5-16/h11-12,14,16,18H,4-10H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103502946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).