6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine

C11H17ClN4O — CID 59374622

IUPAC6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)c(N)c(NCC2CCOCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-7-15-10(12)9(13)11(16-7)14-6-8-2-4-17-5-3-8/h8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyPNFBNAXVQDAPNM-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.86
Rot. Bonds3

About 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine

6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 59374622) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
PubChem CID59374622
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)c(N)c(NCC2CCOCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-7-15-10(12)9(13)11(16-7)14-6-8-2-4-17-5-3-8/h8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyPNFBNAXVQDAPNM-UHFFFAOYSA-N
XLogP1.86
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine (CID 59374622) is 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine is Cc1nc(Cl)c(N)c(NCC2CCOCC2)n1.
What is the InChIKey of 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is PNFBNAXVQDAPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-15-10(12)9(13)11(16-7)14-6-8-2-4-17-5-3-8/h8H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine?
6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 256.74 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 59374622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).