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

C14H26N4O — CID 80982738

IUPAC1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCCCNc1nc(CC)nc(N(C)CC(C)O)c1C
InChIInChI=1S/C14H26N4O/c1-6-8-15-13-11(4)14(17-12(7-2)16-13)18(5)9-10(3)19/h10,19H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyJCQUZRHWKCUJNP-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.99
Rot. Bonds7

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

1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol (PubChem CID 80982738) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
PubChem CID80982738
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCCCNc1nc(CC)nc(N(C)CC(C)O)c1C
InChIInChI=1S/C14H26N4O/c1-6-8-15-13-11(4)14(17-12(7-2)16-13)18(5)9-10(3)19/h10,19H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyJCQUZRHWKCUJNP-UHFFFAOYSA-N
XLogP1.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N,5-dimethyl-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80993430
4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790
4-N-butan-2-yl-4-N,2-diethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994284
3-[[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80993026
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-ethyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80993377
2-ethyl-4-N,5-dimethyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986272
2-ethyl-5-methyl-6-propan-2-yloxy-N-propylpyrimidin-4-amine
CID 80989070
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159660
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol (CID 80982738) is 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol is CCCNc1nc(CC)nc(N(C)CC(C)O)c1C.
What is the InChIKey of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The InChIKey is JCQUZRHWKCUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-8-15-13-11(4)14(17-12(7-2)16-13)18(5)9-10(3)19/h10,19H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 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]-methylamino]propan-2-ol is sourced from PubChem (CID 80982738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).