N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide

C12H17N5O2 — CID 121137212

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C12H17N5O2/c1-17(2)10-5-6-13-9(16-10)7-14-12(19)8-3-4-11(18)15-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyMOAKDKPJIYQFCX-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.56
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121137212) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121137212
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C12H17N5O2/c1-17(2)10-5-6-13-9(16-10)7-14-12(19)8-3-4-11(18)15-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyMOAKDKPJIYQFCX-UHFFFAOYSA-N
XLogP-0.56
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
CID 122322584
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322511
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322510
3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
CID 121137204
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 121075363
1-(3-bromophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122322579
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 94177447

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 121137212) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide is CN(C)c1ccnc(CNC(=O)C2CCC(=O)N2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MOAKDKPJIYQFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-17(2)10-5-6-13-9(16-10)7-14-12(19)8-3-4-11(18)15-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,19)(H,15,18).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121137212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).