2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine

C13H22N4O — CID 80771111

IUPAC2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCCO2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-3-6-14-12-8-13(17-10(2)16-12)15-9-11-5-4-7-18-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyPUQUMOJCCXWXIN-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.20
Rot. Bonds6

About 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine

2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80771111) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80771111
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCCO2)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-3-6-14-12-8-13(17-10(2)16-12)15-9-11-5-4-7-18-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16,17)
InChIKeyPUQUMOJCCXWXIN-UHFFFAOYSA-N
XLogP2.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80771111) is 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCCO2)nc(C)n1.
What is the InChIKey of 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PUQUMOJCCXWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-14-12-8-13(17-10(2)16-12)15-9-11-5-4-7-18-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(oxolan-2-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80771111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).