2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol

C15H26N4O — CID 80811423

IUPAC2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1ncnc(N(CCO)C2CC2)c1C(C)C
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-13(11(2)3)15(18-10-17-14)19(8-9-20)12-5-6-12/h10-12,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyUKMNNOYVSIYMLZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.38
Rot. Bonds8

About 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol

2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80811423) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80811423
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1ncnc(N(CCO)C2CC2)c1C(C)C
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-13(11(2)3)15(18-10-17-14)19(8-9-20)12-5-6-12/h10-12,20H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyUKMNNOYVSIYMLZ-UHFFFAOYSA-N
XLogP2.38
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 102875668
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80787176
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80839941
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
3-[[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138049
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (CID 80811423) is 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is CCCNc1ncnc(N(CCO)C2CC2)c1C(C)C.
What is the InChIKey of 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is UKMNNOYVSIYMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-14-13(11(2)3)15(18-10-17-14)19(8-9-20)12-5-6-12/h10-12,20H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80811423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).