2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine

C11H18ClN5O — CID 143142837

IUPAC2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine
SMILESCNc1c(N)nc(Cl)nc1N(C)C1CCCCO1
InChIInChI=1S/C11H18ClN5O/c1-14-8-9(13)15-11(12)16-10(8)17(2)7-5-3-4-6-18-7/h7,14H,3-6H2,1-2H3,(H2,13,15,16)
InChIKeyBKNPEOGFLPRYSG-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.72
Rot. Bonds3

About 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine

2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 143142837) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine
PubChem CID143142837
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine
SMILESCNc1c(N)nc(Cl)nc1N(C)C1CCCCO1
InChIInChI=1S/C11H18ClN5O/c1-14-8-9(13)15-11(12)16-10(8)17(2)7-5-3-4-6-18-7/h7,14H,3-6H2,1-2H3,(H2,13,15,16)
InChIKeyBKNPEOGFLPRYSG-UHFFFAOYSA-N
XLogP1.72
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine (CID 143142837) is 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine is CNc1c(N)nc(Cl)nc1N(C)C1CCCCO1.
What is the InChIKey of 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is BKNPEOGFLPRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-14-8-9(13)15-11(12)16-10(8)17(2)7-5-3-4-6-18-7/h7,14H,3-6H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine?
2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 271.75 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N,5-N-dimethyl-4-N-(oxan-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 143142837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).