2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine

C16H27N5 — CID 80959120

IUPAC2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCN(C)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H27N5/c1-17-14-10-15(19-16(18-14)13-4-5-13)21(3)11-12-6-8-20(2)9-7-12/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyFXKAUXFBMNGTIQ-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.17
Rot. Bonds5

About 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine

2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80959120) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80959120
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCN(C)CC2)nc(C2CC2)n1
InChIInChI=1S/C16H27N5/c1-17-14-10-15(19-16(18-14)13-4-5-13)21(3)11-12-6-8-20(2)9-7-12/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeyFXKAUXFBMNGTIQ-UHFFFAOYSA-N
XLogP2.17
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80957762
2-cyclopropyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80959228
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667758
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80967047
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128
2-tert-butyl-4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957316

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine (CID 80959120) is 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(N(C)CC2CCN(C)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is FXKAUXFBMNGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-17-14-10-15(19-16(18-14)13-4-5-13)21(3)11-12-6-8-20(2)9-7-12/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80959120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).