3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide

C21H29N5O — CID 18566661

IUPAC3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-15-14-19(26(2)3)25-21(22-15)24-18-11-9-17(10-12-18)23-20(27)13-8-16-6-4-5-7-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyQJCDAWTTXGBAEJ-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.50
Rot. Bonds7

About 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide

3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide (PubChem CID 18566661) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide
PubChem CID18566661
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-15-14-19(26(2)3)25-21(22-15)24-18-11-9-17(10-12-18)23-20(27)13-8-16-6-4-5-7-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyQJCDAWTTXGBAEJ-UHFFFAOYSA-N
XLogP4.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide (CID 18566661) is 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)n1.
What is the InChIKey of 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide?
The InChIKey is QJCDAWTTXGBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-14-19(26(2)3)25-21(22-15)24-18-11-9-17(10-12-18)23-20(27)13-8-16-6-4-5-7-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide?
3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide has a molecular weight of 367.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide is sourced from PubChem (CID 18566661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).