4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

C13H22N4O — CID 114121099

IUPAC4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NC2CC(OC)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-5-11-16-12(14-2)8-13(17-11)15-9-6-10(7-9)18-3/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyPMRPSHRWNCRLAT-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.06
Rot. Bonds6

About 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 114121099) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID114121099
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NC2CC(OC)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-5-11-16-12(14-2)8-13(17-11)15-9-6-10(7-9)18-3/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyPMRPSHRWNCRLAT-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 114121099) is 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(NC2CC(OC)C2)n1.
What is the InChIKey of 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is PMRPSHRWNCRLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-11-16-12(14-2)8-13(17-11)15-9-6-10(7-9)18-3/h8-10H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114121099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).