4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

C12H21ClN4O — CID 114150365

IUPAC4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCCNc1ncc(Cl)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C12H21ClN4O/c1-4-14-11-15-7-9(13)10(17-11)16-8-12(2,3)5-6-18/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyWGHMTKLOROXURP-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.38
Rot. Bonds7

About 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 114150365) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
PubChem CID114150365
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCCNc1ncc(Cl)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C12H21ClN4O/c1-4-14-11-15-7-9(13)10(17-11)16-8-12(2,3)5-6-18/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyWGHMTKLOROXURP-UHFFFAOYSA-N
XLogP2.38
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149910
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
6-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855284
5-chloro-4-N-(2,2-dimethylheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839036
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296292
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (CID 114150365) is 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is CCNc1ncc(Cl)c(NCC(C)(C)CCO)n1.
What is the InChIKey of 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is WGHMTKLOROXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-4-14-11-15-7-9(13)10(17-11)16-8-12(2,3)5-6-18/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 272.78 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 114150365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).