6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine

C16H27N5 — CID 80828303

IUPAC6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC2CC3CCCC(C2)N3C)c1C
InChIInChI=1S/C16H27N5/c1-10-15(17-3)18-11(2)19-16(10)20-12-8-13-6-5-7-14(9-12)21(13)4/h12-14H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyVXQKRWIFZCNOQJ-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.56
Rot. Bonds3

About 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine

6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine (PubChem CID 80828303) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine
PubChem CID80828303
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC2CC3CCCC(C2)N3C)c1C
InChIInChI=1S/C16H27N5/c1-10-15(17-3)18-11(2)19-16(10)20-12-8-13-6-5-7-14(9-12)21(13)4/h12-14H,5-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyVXQKRWIFZCNOQJ-UHFFFAOYSA-N
XLogP2.56
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine (CID 80828303) is 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine is CNc1nc(C)nc(NC2CC3CCCC(C2)N3C)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is VXQKRWIFZCNOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-10-15(17-3)18-11(2)19-16(10)20-12-8-13-6-5-7-14(9-12)21(13)4/h12-14H,5-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80828303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).