N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide

C14H22N6O2 — CID 121075363

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C14H22N6O2/c1-9-8-11(20(2)3)19-14(17-9)16-7-6-15-13(22)10-4-5-12(21)18-10/h8,10H,4-7H2,1-3H3,(H,15,22)(H,18,21)(H,16,17,19)
InChIKeyQRHSILCYBSXQBB-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.34
Rot. Bonds6

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121075363) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121075363
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)C2CCC(=O)N2)n1
InChIInChI=1S/C14H22N6O2/c1-9-8-11(20(2)3)19-14(17-9)16-7-6-15-13(22)10-4-5-12(21)18-10/h8,10H,4-7H2,1-3H3,(H,15,22)(H,18,21)(H,16,17,19)
InChIKeyQRHSILCYBSXQBB-UHFFFAOYSA-N
XLogP-0.34
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide (CID 121075363) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1cc(N(C)C)nc(NCCNC(=O)C2CCC(=O)N2)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QRHSILCYBSXQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-9-8-11(20(2)3)19-14(17-9)16-7-6-15-13(22)10-4-5-12(21)18-10/h8,10H,4-7H2,1-3H3,(H,15,22)(H,18,21)(H,16,17,19).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121075363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).