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

C16H30N4O — CID 107159660

IUPAC1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
SMILESCCCNc1nc(CC)nc(NCC(O)CC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-6-8-17-15-12(5)16(20-14(7-2)19-15)18-10-13(21)9-11(3)4/h11,13,21H,6-10H2,1-5H3,(H2,17,18,19,20)
InChIKeyPKPKOBCICQTXMM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.99
Rot. Bonds9

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

1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol (PubChem CID 107159660) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
PubChem CID107159660
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
SMILESCCCNc1nc(CC)nc(NCC(O)CC(C)C)c1C
InChIInChI=1S/C16H30N4O/c1-6-8-17-15-12(5)16(20-14(7-2)19-15)18-10-13(21)9-11(3)4/h11,13,21H,6-10H2,1-5H3,(H2,17,18,19,20)
InChIKeyPKPKOBCICQTXMM-UHFFFAOYSA-N
XLogP2.99
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
4-N-(2,2-difluoroethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 113304250
2-ethyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985227
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159606
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol (CID 107159660) is 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol is CCCNc1nc(CC)nc(NCC(O)CC(C)C)c1C.
What is the InChIKey of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol?
The InChIKey is PKPKOBCICQTXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-8-17-15-12(5)16(20-14(7-2)19-15)18-10-13(21)9-11(3)4/h11,13,21H,6-10H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol?
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).