2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide

C17H26N6O — CID 46983799

IUPAC2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cn1
InChIInChI=1S/C17H26N6O/c1-7-18-17-19-8-14(9-20-17)16(24)23(11(2)3)10-15-12(4)21-22(6)13(15)5/h8-9,11H,7,10H2,1-6H3,(H,18,19,20)
InChIKeyYVBYFYIHXSYNFZ-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.31
Rot. Bonds6

About 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 46983799) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID46983799
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cn1
InChIInChI=1S/C17H26N6O/c1-7-18-17-19-8-14(9-20-17)16(24)23(11(2)3)10-15-12(4)21-22(6)13(15)5/h8-9,11H,7,10H2,1-6H3,(H,18,19,20)
InChIKeyYVBYFYIHXSYNFZ-UHFFFAOYSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50972818
N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 119070990
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide
CID 50959754
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
1-(oxolan-2-ylmethyl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 45214039
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80848491
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 46986307

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 46983799) is 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cn1.
What is the InChIKey of 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is YVBYFYIHXSYNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-7-18-17-19-8-14(9-20-17)16(24)23(11(2)3)10-15-12(4)21-22(6)13(15)5/h8-9,11H,7,10H2,1-6H3,(H,18,19,20).
What are the key properties of 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46983799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).