4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine

C13H22N4O — CID 80789465

IUPAC4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)C1CCOCC1
InChIInChI=1S/C13H22N4O/c1-3-4-11-12(14)15-9-16-13(11)17(2)10-5-7-18-8-6-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyYAMJNRLYVDMSMH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.63
Rot. Bonds4

About 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine

4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80789465) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
PubChem CID80789465
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)C1CCOCC1
InChIInChI=1S/C13H22N4O/c1-3-4-11-12(14)15-9-16-13(11)17(2)10-5-7-18-8-6-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyYAMJNRLYVDMSMH-UHFFFAOYSA-N
XLogP1.63
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine (CID 80789465) is 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1N(C)C1CCOCC1.
What is the InChIKey of 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is YAMJNRLYVDMSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-11-12(14)15-9-16-13(11)17(2)10-5-7-18-8-6-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80789465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).