6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

C14H24N4O — CID 80983011

IUPAC6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCC2CCOC2)n1
InChIInChI=1S/C14H24N4O/c1-4-5-12-17-13(15-3)10(2)14(18-12)16-8-11-6-7-19-9-11/h11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeySSRARKLMIQXZLP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.23
Rot. Bonds6

About 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80983011) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80983011
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NCC2CCOC2)n1
InChIInChI=1S/C14H24N4O/c1-4-5-12-17-13(15-3)10(2)14(18-12)16-8-11-6-7-19-9-11/h11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeySSRARKLMIQXZLP-UHFFFAOYSA-N
XLogP2.23
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine (CID 80983011) is 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NCC2CCOC2)n1.
What is the InChIKey of 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is SSRARKLMIQXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-5-12-17-13(15-3)10(2)14(18-12)16-8-11-6-7-19-9-11/h11H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).