2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine

C14H23N5 — CID 83027612

IUPAC2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine
SMILESCC1CCCC(C)N1Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H23N5/c1-9-4-3-5-10(2)19(9)18-13-8-12(15)16-14(17-13)11-6-7-11/h8-11H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyNIAUVBIBQGJEKS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds3

About 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine (PubChem CID 83027612) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine
PubChem CID83027612
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine
SMILESCC1CCCC(C)N1Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H23N5/c1-9-4-3-5-10(2)19(9)18-13-8-12(15)16-14(17-13)11-6-7-11/h8-11H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyNIAUVBIBQGJEKS-UHFFFAOYSA-N
XLogP2.53
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine (CID 83027612) is 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine is CC1CCCC(C)N1Nc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is NIAUVBIBQGJEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-9-4-3-5-10(2)19(9)18-13-8-12(15)16-14(17-13)11-6-7-11/h8-11H,3-7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(2,6-dimethylpiperidin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83027612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).