1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine

C14H22N4O — CID 95764383

IUPAC1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CN(c2ncnc3c2CCC3)CCO1
InChIInChI=1S/C14H22N4O/c1-17(2)8-11-9-18(6-7-19-11)14-12-4-3-5-13(12)15-10-16-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyQOIWETWSYMLWDT-NSHDSACASA-N
MW262.36 g/mol
LogP0.73
Rot. Bonds3

About 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine

1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 95764383) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID95764383
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CN(c2ncnc3c2CCC3)CCO1
InChIInChI=1S/C14H22N4O/c1-17(2)8-11-9-18(6-7-19-11)14-12-4-3-5-13(12)15-10-16-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyQOIWETWSYMLWDT-NSHDSACASA-N
XLogP0.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine (CID 95764383) is 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1CN(c2ncnc3c2CCC3)CCO1.
What is the InChIKey of 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is QOIWETWSYMLWDT-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)8-11-9-18(6-7-19-11)14-12-4-3-5-13(12)15-10-16-14/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 262.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 95764383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).