3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol

C15H26N4O — CID 80992823

IUPAC3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCCCNc1nc(C2CC2)nc(NCC(C)CO)c1C
InChIInChI=1S/C15H26N4O/c1-4-7-16-13-11(3)14(17-8-10(2)9-20)19-15(18-13)12-5-6-12/h10,12,20H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyNZLFFXGAIBLZJG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds8

About 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol

3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 80992823) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID80992823
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCCCNc1nc(C2CC2)nc(NCC(C)CO)c1C
InChIInChI=1S/C15H26N4O/c1-4-7-16-13-11(3)14(17-8-10(2)9-20)19-15(18-13)12-5-6-12/h10,12,20H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyNZLFFXGAIBLZJG-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80984401
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 81006614
2-cyclopropyl-5-methyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989575
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80986619
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80986615

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol (CID 80992823) is 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol is CCCNc1nc(C2CC2)nc(NCC(C)CO)c1C.
What is the InChIKey of 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is NZLFFXGAIBLZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-13-11(3)14(17-8-10(2)9-20)19-15(18-13)12-5-6-12/h10,12,20H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80992823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).