N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine

C17H23N5 — CID 42148071

IUPACN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESCN(c1ncccc1CNc1ncccn1)C1CCCCC1
InChIInChI=1S/C17H23N5/c1-22(15-8-3-2-4-9-15)16-14(7-5-10-18-16)13-21-17-19-11-6-12-20-17/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,19,20,21)
InChIKeyVPXBLEQSHZJJOL-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.25
Rot. Bonds5

About N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine

N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine (PubChem CID 42148071) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
PubChem CID42148071
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESCN(c1ncccc1CNc1ncccn1)C1CCCCC1
InChIInChI=1S/C17H23N5/c1-22(15-8-3-2-4-9-15)16-14(7-5-10-18-16)13-21-17-19-11-6-12-20-17/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,19,20,21)
InChIKeyVPXBLEQSHZJJOL-UHFFFAOYSA-N
XLogP3.25
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 56743989
3-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N-cyclohexyl-N-methylpyridin-2-amine
CID 26398138
methyl N-[1-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 56739674
N-cyclohexyl-3-[[(3-methoxyphenyl)methylamino]methyl]-N-methylpyridin-2-amine
CID 42394037
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 42189481
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 26333850
(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 25311957
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 25296594
3-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 62287807

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine (CID 42148071) is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine is CN(c1ncccc1CNc1ncccn1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine?
The InChIKey is VPXBLEQSHZJJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-22(15-8-3-2-4-9-15)16-14(7-5-10-18-16)13-21-17-19-11-6-12-20-17/h5-7,10-12,15H,2-4,8-9,13H2,1H3,(H,19,20,21).
What are the key properties of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine?
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 42148071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).