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

Amprolium Hydrochloride
CID 8732
2-(Benzylamino)pyridine
CID 23362
Amprolium
CID 73341
Msx-122
CID 11687907
WZ 811
CID 11565518
Amprolium ion
CID 2178
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582

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).