3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol

C16H28N4O — CID 106179075

IUPAC3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCCNc1cc(NC(C)(CC)CCO)nc(C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-13-11-14(19-15(18-13)12-6-7-12)20-16(3,5-2)8-10-21/h11-12,21H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyCIXDTIUHXCDYBS-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.14
Rot. Bonds9

About 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol

3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (PubChem CID 106179075) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
PubChem CID106179075
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
SMILESCCCNc1cc(NC(C)(CC)CCO)nc(C2CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-9-17-13-11-14(19-15(18-13)12-6-7-12)20-16(3,5-2)8-10-21/h11-12,21H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyCIXDTIUHXCDYBS-UHFFFAOYSA-N
XLogP3.14
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179082
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280526
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentan-1-ol
CID 103894661
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol (CID 106179075) is 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is CCCNc1cc(NC(C)(CC)CCO)nc(C2CC2)n1.
What is the InChIKey of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
The InChIKey is CIXDTIUHXCDYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-17-13-11-14(19-15(18-13)12-6-7-12)20-16(3,5-2)8-10-21/h11-12,21H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol?
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106179075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).