2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C16H21N7O2 — CID 166384232

IUPAC2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N1CCC(CN(C)C(=O)c2cnc(N)nc2)C1
InChIInChI=1S/C16H21N7O2/c1-10-5-20-21-13(10)15(25)23-4-3-11(9-23)8-22(2)14(24)12-6-18-16(17)19-7-12/h5-7,11H,3-4,8-9H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyNVKQHAYSAQOAHG-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.32
Rot. Bonds4

About 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 166384232) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID166384232
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N1CCC(CN(C)C(=O)c2cnc(N)nc2)C1
InChIInChI=1S/C16H21N7O2/c1-10-5-20-21-13(10)15(25)23-4-3-11(9-23)8-22(2)14(24)12-6-18-16(17)19-7-12/h5-7,11H,3-4,8-9H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyNVKQHAYSAQOAHG-UHFFFAOYSA-N
XLogP0.32
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 166384232) is 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is Cc1cn[nH]c1C(=O)N1CCC(CN(C)C(=O)c2cnc(N)nc2)C1.
What is the InChIKey of 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is NVKQHAYSAQOAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-10-5-20-21-13(10)15(25)23-4-3-11(9-23)8-22(2)14(24)12-6-18-16(17)19-7-12/h5-7,11H,3-4,8-9H2,1-2H3,(H,20,21)(H2,17,18,19).
What are the key properties of 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[1-(4-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166384232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).