4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide

C18H23N5O — CID 126443787

IUPAC4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
SMILESCN1CCC[C@H]1CCNC(=O)c1ccc(-c2cnc(N)nc2)cc1
InChIInChI=1S/C18H23N5O/c1-23-10-2-3-16(23)8-9-20-17(24)14-6-4-13(5-7-14)15-11-21-18(19)22-12-15/h4-7,11-12,16H,2-3,8-10H2,1H3,(H,20,24)(H2,19,21,22)/t16-/m0/s1
InChIKeyWXPHOIGWNCNLKK-INIZCTEOSA-N
MW325.42 g/mol
LogP1.94
Rot. Bonds5

About 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide

4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide (PubChem CID 126443787) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
PubChem CID126443787
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
SMILESCN1CCC[C@H]1CCNC(=O)c1ccc(-c2cnc(N)nc2)cc1
InChIInChI=1S/C18H23N5O/c1-23-10-2-3-16(23)8-9-20-17(24)14-6-4-13(5-7-14)15-11-21-18(19)22-12-15/h4-7,11-12,16H,2-3,8-10H2,1H3,(H,20,24)(H2,19,21,22)/t16-/m0/s1
InChIKeyWXPHOIGWNCNLKK-INIZCTEOSA-N
XLogP1.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminoisoquinolin-6-yl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 125446676
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4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126447434
6-(ethylamino)-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 25374156
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25367128
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
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6-(4-ethylpiperazin-1-yl)-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 28809620
4-(2-aminopyrimidin-5-yl)-N-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]benzamide
CID 126439238
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide (CID 126443787) is 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide is CN1CCC[C@H]1CCNC(=O)c1ccc(-c2cnc(N)nc2)cc1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is WXPHOIGWNCNLKK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-23-10-2-3-16(23)8-9-20-17(24)14-6-4-13(5-7-14)15-11-21-18(19)22-12-15/h4-7,11-12,16H,2-3,8-10H2,1H3,(H,20,24)(H2,19,21,22)/t16-/m0/s1.
What are the key properties of 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 126443787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).