1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

C15H28N4O — CID 106296289

IUPAC1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCNc1nc(C)nc(NCC(C)(O)CCC)c1C
InChIInChI=1S/C15H28N4O/c1-6-8-15(5,20)10-17-14-11(3)13(16-9-7-2)18-12(4)19-14/h20H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyJTUZFDXRCYHATO-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.88
Rot. Bonds8

About 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (PubChem CID 106296289) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
PubChem CID106296289
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCNc1nc(C)nc(NCC(C)(O)CCC)c1C
InChIInChI=1S/C15H28N4O/c1-6-8-15(5,20)10-17-14-11(3)13(16-9-7-2)18-12(4)19-14/h20H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyJTUZFDXRCYHATO-UHFFFAOYSA-N
XLogP2.88
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (CID 106296289) is 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is CCCNc1nc(C)nc(NCC(C)(O)CCC)c1C.
What is the InChIKey of 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The InChIKey is JTUZFDXRCYHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-8-15(5,20)10-17-14-11(3)13(16-9-7-2)18-12(4)19-14/h20H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106296289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).