4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C16H21N5 — CID 112893866

IUPAC4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESc1cc(CNc2nccc(N3CCCCCC3)n2)ccn1
InChIInChI=1S/C16H21N5/c1-2-4-12-21(11-3-1)15-7-10-18-16(20-15)19-13-14-5-8-17-9-6-14/h5-10H,1-4,11-13H2,(H,18,19,20)
InChIKeyNEUNLALPAHSHRE-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.86
Rot. Bonds4

About 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 112893866) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID112893866
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESc1cc(CNc2nccc(N3CCCCCC3)n2)ccn1
InChIInChI=1S/C16H21N5/c1-2-4-12-21(11-3-1)15-7-10-18-16(20-15)19-13-14-5-8-17-9-6-14/h5-10H,1-4,11-13H2,(H,18,19,20)
InChIKeyNEUNLALPAHSHRE-UHFFFAOYSA-N
XLogP2.86
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807
4-[2-(benzylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888503
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 112884508

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 112893866) is 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is c1cc(CNc2nccc(N3CCCCCC3)n2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is NEUNLALPAHSHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-4-12-21(11-3-1)15-7-10-18-16(20-15)19-13-14-5-8-17-9-6-14/h5-10H,1-4,11-13H2,(H,18,19,20).
What are the key properties of 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112893866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).