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

C15H26N4O — CID 115366436

IUPAC3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCCNc1cc(NCC(C)(C)CO)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-12-8-13(17-9-15(2,3)10-20)19-14(18-12)11-5-6-11/h8,11,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyBJOAXCBVUZKMSL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds8

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

3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366436) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115366436
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCCNc1cc(NCC(C)(C)CO)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-7-16-12-8-13(17-9-15(2,3)10-20)19-14(18-12)11-5-6-11/h8,11,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyBJOAXCBVUZKMSL-UHFFFAOYSA-N
XLogP2.61
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280526
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179075
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
6-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80959054
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol (CID 115366436) is 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol is CCCNc1cc(NCC(C)(C)CO)nc(C2CC2)n1.
What is the InChIKey of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is BJOAXCBVUZKMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-12-8-13(17-9-15(2,3)10-20)19-14(18-12)11-5-6-11/h8,11,20H,4-7,9-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.61, 8 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]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).