1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile

C19H25N5O2 — CID 131687139

IUPAC1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCOCC2c2nccc(NC3CCC3)n2)CCCC1
InChIInChI=1S/C19H25N5O2/c20-13-19(7-1-2-8-19)18(25)24-10-11-26-12-15(24)17-21-9-6-16(23-17)22-14-4-3-5-14/h6,9,14-15H,1-5,7-8,10-12H2,(H,21,22,23)
InChIKeyVJJXVCJPGALZKJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.42
Rot. Bonds4

About 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile

1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 131687139) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile
PubChem CID131687139
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCOCC2c2nccc(NC3CCC3)n2)CCCC1
InChIInChI=1S/C19H25N5O2/c20-13-19(7-1-2-8-19)18(25)24-10-11-26-12-15(24)17-21-9-6-16(23-17)22-14-4-3-5-14/h6,9,14-15H,1-5,7-8,10-12H2,(H,21,22,23)
InChIKeyVJJXVCJPGALZKJ-UHFFFAOYSA-N
XLogP2.42
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile (CID 131687139) is 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCOCC2c2nccc(NC3CCC3)n2)CCCC1.
What is the InChIKey of 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is VJJXVCJPGALZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-13-19(7-1-2-8-19)18(25)24-10-11-26-12-15(24)17-21-9-6-16(23-17)22-14-4-3-5-14/h6,9,14-15H,1-5,7-8,10-12H2,(H,21,22,23).
What are the key properties of 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile?
1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholine-4-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131687139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).