4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine

C18H20ClN7O — CID 141266183

IUPAC4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine
SMILESCc1ncncc1-c1nc(N2CCOCC2)c2nc(Cl)n(CC3CC3)c2n1
InChIInChI=1S/C18H20ClN7O/c1-11-13(8-20-10-21-11)15-23-16(25-4-6-27-7-5-25)14-17(24-15)26(18(19)22-14)9-12-2-3-12/h8,10,12H,2-7,9H2,1H3
InChIKeyWPYPEPQBTIEKIT-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.49
Rot. Bonds4

About 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine

4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine (PubChem CID 141266183) has the molecular formula C18H20ClN7O and a molecular weight of 385.86 g/mol. Its IUPAC name is 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine
PubChem CID141266183
Molecular FormulaC18H20ClN7O
Molecular Weight385.86 g/mol
Exact Mass385.14
IUPAC Name4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine
SMILESCc1ncncc1-c1nc(N2CCOCC2)c2nc(Cl)n(CC3CC3)c2n1
InChIInChI=1S/C18H20ClN7O/c1-11-13(8-20-10-21-11)15-23-16(25-4-6-27-7-5-25)14-17(24-15)26(18(19)22-14)9-12-2-3-12/h8,10,12H,2-7,9H2,1H3
InChIKeyWPYPEPQBTIEKIT-UHFFFAOYSA-N
XLogP2.49
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-amino-5-[8-chloro-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-4-yl]iodanium
CID 163486817
5-[9-(cyclopropylmethyl)-8-(3,5-dimethylpiperazin-1-yl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
CID 66658511
1-[4-[2-(2-aminopyrimidin-5-yl)-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-8-yl]piperazin-1-yl]ethanone;5-[8-chloro-9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine;methane;1-piperazin-1-ylethanone
CID 160986899
5-[8-chloro-6-morpholin-4-yl-9-(oxolan-3-ylmethyl)purin-2-yl]pyrimidin-2-amine;(2S,6R)-2,6-dimethylpiperazine;5-[8-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-morpholin-4-yl-9-(oxolan-3-ylmethyl)purin-2-yl]pyrimidin-2-amine
CID 158139585
5-[9-(cyclopropylmethyl)-8-[(3R)-3-methylpiperazin-1-yl]-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine
CID 59333522
tert-butyl N-[5-[8-chloro-9-(cyclopropylmethyl)-6-[(3S)-3-methylmorpholin-4-yl]purin-2-yl]-4-methylpyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59333503
5-[9-(cyclopropylmethyl)-6-morpholin-4-yl-8-piperazin-1-ylpurin-2-yl]pyrimidin-2-amine
CID 59333573
N,4-ditert-butyl-5-[8-chloro-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
CID 87096885
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
CID 59333669
5-[8-chloro-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidine-2-carboxamide
CID 89145542
tert-butyl-[[5-[8-chloro-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-yl]methyl]carbamic acid
CID 66658528
N,N-ditert-butyl-5-[8-chloro-6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidine-2-carboxamide
CID 66666463

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine?
The IUPAC name of 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine (CID 141266183) is 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine.
What is the SMILES notation for 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine?
The canonical SMILES for 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine is Cc1ncncc1-c1nc(N2CCOCC2)c2nc(Cl)n(CC3CC3)c2n1.
What is the InChIKey of 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine?
The InChIKey is WPYPEPQBTIEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O/c1-11-13(8-20-10-21-11)15-23-16(25-4-6-27-7-5-25)14-17(24-15)26(18(19)22-14)9-12-2-3-12/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine?
4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine has a molecular weight of 385.86 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-chloro-9-(cyclopropylmethyl)-2-(4-methylpyrimidin-5-yl)purin-6-yl]morpholine is sourced from PubChem (CID 141266183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).