(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine

C11H14ClN5O — CID 58222500

IUPAC(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2ncn(C)c12
InChIInChI=1S/C11H14ClN5O/c1-7-5-18-4-3-17(7)10-8-9(13-6-16(8)2)14-11(12)15-10/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeySKVUIYYFXIHPOV-ZETCQYMHSA-N
MW267.72 g/mol
LogP1.24
Rot. Bonds1

About (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine

(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine (PubChem CID 58222500) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine
PubChem CID58222500
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2ncn(C)c12
InChIInChI=1S/C11H14ClN5O/c1-7-5-18-4-3-17(7)10-8-9(13-6-16(8)2)14-11(12)15-10/h6-7H,3-5H2,1-2H3/t7-/m0/s1
InChIKeySKVUIYYFXIHPOV-ZETCQYMHSA-N
XLogP1.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine
CID 58222480
4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine
CID 76707359
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 72570064
(3R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 164581492
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
(3S)-4-(2-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829517
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3S)-4-(2-chloro-7H-purin-6-yl)-3-methylmorpholine;(3S)-4-[2-chloro-9-(2,2,2-trifluoroethyl)purin-6-yl]-3-methylmorpholine
CID 157148736
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3R)-4-[2-chloro-7-(chloromethyl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581544
5-chloro-N-methyl-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
CID 80782226

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine (CID 58222500) is (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine is C[C@H]1COCCN1c1nc(Cl)nc2ncn(C)c12.
What is the InChIKey of (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine?
The InChIKey is SKVUIYYFXIHPOV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7-5-18-4-3-17(7)10-8-9(13-6-16(8)2)14-11(12)15-10/h6-7H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine?
(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine has a molecular weight of 267.72 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine is sourced from PubChem (CID 58222500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).