1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol

C13H24N4O — CID 113493096

IUPAC1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
SMILESCCCc1nc(N)c(C)c(NCC(O)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-6-11-16-12(14)9(4)13(17-11)15-7-10(18)8(2)3/h8,10,18H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeySZNKKHQUMVXULX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds6

About 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol

1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol (PubChem CID 113493096) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
PubChem CID113493096
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
SMILESCCCc1nc(N)c(C)c(NCC(O)C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-6-11-16-12(14)9(4)13(17-11)15-7-10(18)8(2)3/h8,10,18H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeySZNKKHQUMVXULX-UHFFFAOYSA-N
XLogP1.75
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 107819112
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propylpyrimidin-4-amine
CID 81006405

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol (CID 113493096) is 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol is CCCc1nc(N)c(C)c(NCC(O)C(C)C)n1.
What is the InChIKey of 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The InChIKey is SZNKKHQUMVXULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-11-16-12(14)9(4)13(17-11)15-7-10(18)8(2)3/h8,10,18H,5-7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol?
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 113493096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).