[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol

C12H19ClN4O2 — CID 81217444

IUPAC[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCCCNc1ncc(Cl)c(N2CCOC(CO)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-2-3-14-12-15-6-10(13)11(16-12)17-4-5-19-9(7-17)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyDWDFAQITEOJUTD-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.15
Rot. Bonds5

About [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol

[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol (PubChem CID 81217444) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
PubChem CID81217444
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
SMILESCCCNc1ncc(Cl)c(N2CCOC(CO)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-2-3-14-12-15-6-10(13)11(16-12)17-4-5-19-9(7-17)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyDWDFAQITEOJUTD-UHFFFAOYSA-N
XLogP1.15
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80833787
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746619
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322483
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol
CID 96546282

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol (CID 81217444) is [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol is CCCNc1ncc(Cl)c(N2CCOC(CO)C2)n1.
What is the InChIKey of [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol?
The InChIKey is DWDFAQITEOJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-2-3-14-12-15-6-10(13)11(16-12)17-4-5-19-9(7-17)8-18/h6,9,18H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol?
[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol has a molecular weight of 286.76 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 81217444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).