4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C16H21N5 — CID 112884771

IUPAC4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cncc(CNc2nccc(NC3CCCCC3)n2)c1
InChIInChI=1S/C16H21N5/c1-2-6-14(7-3-1)20-15-8-10-18-16(21-15)19-12-13-5-4-9-17-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H2,18,19,20,21)
InChIKeyOFWKSTJYPROBJX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.23
Rot. Bonds5

About 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112884771) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112884771
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cncc(CNc2nccc(NC3CCCCC3)n2)c1
InChIInChI=1S/C16H21N5/c1-2-6-14(7-3-1)20-15-8-10-18-16(21-15)19-12-13-5-4-9-17-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H2,18,19,20,21)
InChIKeyOFWKSTJYPROBJX-UHFFFAOYSA-N
XLogP3.23
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919599
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 112884764
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-(4-piperidin-1-ylphenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893631
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882659

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112884771) is 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is c1cncc(CNc2nccc(NC3CCCCC3)n2)c1.
What is the InChIKey of 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is OFWKSTJYPROBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-6-14(7-3-1)20-15-8-10-18-16(21-15)19-12-13-5-4-9-17-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H2,18,19,20,21).
What are the key properties of 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112884771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).