1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol

C14H24N4O — CID 80982456

IUPAC1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCCNc1nc(C2CC2)nc(N(C)CC(C)O)c1C
InChIInChI=1S/C14H24N4O/c1-5-15-12-10(3)14(18(4)8-9(2)19)17-13(16-12)11-6-7-11/h9,11,19H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyCYMPJLYPSXXBCR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.91
Rot. Bonds6

About 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol

1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol (PubChem CID 80982456) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
PubChem CID80982456
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
SMILESCCNc1nc(C2CC2)nc(N(C)CC(C)O)c1C
InChIInChI=1S/C14H24N4O/c1-5-15-12-10(3)14(18(4)8-9(2)19)17-13(16-12)11-6-7-11/h9,11,19H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyCYMPJLYPSXXBCR-UHFFFAOYSA-N
XLogP1.91
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849
1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80972496
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984884
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80986615
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80984916
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 80977208
1-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982738
2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80987802
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80986619

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol (CID 80982456) is 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol is CCNc1nc(C2CC2)nc(N(C)CC(C)O)c1C.
What is the InChIKey of 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol?
The InChIKey is CYMPJLYPSXXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-15-12-10(3)14(18(4)8-9(2)19)17-13(16-12)11-6-7-11/h9,11,19H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol?
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 80982456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).