1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

C12H19BrN4O — CID 81107678

IUPAC1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCNc1ncc(Br)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H19BrN4O/c1-3-14-11-15-8-9(13)10(16-11)17-6-4-12(2,18)5-7-17/h8,18H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNEZZMMVZKFRCDV-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.02
Rot. Bonds3

About 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol

1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (PubChem CID 81107678) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
PubChem CID81107678
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
SMILESCCNc1ncc(Br)c(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H19BrN4O/c1-3-14-11-15-8-9(13)10(16-11)17-6-4-12(2,18)5-7-17/h8,18H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyNEZZMMVZKFRCDV-UHFFFAOYSA-N
XLogP2.02
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80763982
5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80855237
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
5-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpyrimidin-2-amine
CID 80843997
5-bromo-N-ethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 80810634
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674599

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol (CID 81107678) is 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is CCNc1ncc(Br)c(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
The InChIKey is NEZZMMVZKFRCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-3-14-11-15-8-9(13)10(16-11)17-6-4-12(2,18)5-7-17/h8,18H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol?
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol has a molecular weight of 315.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81107678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).