5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide

C15H25N5O — CID 63275010

IUPAC5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C15H25N5O/c1-10(2)14-17-7-12(16)13(18-14)15(21)20(4)9-11-5-6-19(3)8-11/h7,10-11H,5-6,8-9,16H2,1-4H3
InChIKeyCOUPHOYQLATNFG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.21
Rot. Bonds4

About 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 63275010) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID63275010
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C15H25N5O/c1-10(2)14-17-7-12(16)13(18-14)15(21)20(4)9-11-5-6-19(3)8-11/h7,10-11H,5-6,8-9,16H2,1-4H3
InChIKeyCOUPHOYQLATNFG-UHFFFAOYSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 63275010) is 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)N(C)CC2CCN(C)C2)n1.
What is the InChIKey of 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is COUPHOYQLATNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-10(2)14-17-7-12(16)13(18-14)15(21)20(4)9-11-5-6-19(3)8-11/h7,10-11H,5-6,8-9,16H2,1-4H3.
What are the key properties of 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 63275010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).