N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

C15H25N5O — CID 106322286

IUPACN,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCCCNc1ncnc(N2CCC(C)(C(=O)NC)C2)c1C
InChIInChI=1S/C15H25N5O/c1-5-7-17-12-11(2)13(19-10-18-12)20-8-6-15(3,9-20)14(21)16-4/h10H,5-9H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyZQLVPKDORPQQMX-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.57
Rot. Bonds5

About N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 106322286) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID106322286
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCCCNc1ncnc(N2CCC(C)(C(=O)NC)C2)c1C
InChIInChI=1S/C15H25N5O/c1-5-7-17-12-11(2)13(19-10-18-12)20-8-6-15(3,9-20)14(21)16-4/h10H,5-9H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyZQLVPKDORPQQMX-UHFFFAOYSA-N
XLogP1.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 106322286) is N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is CCCNc1ncnc(N2CCC(C)(C(=O)NC)C2)c1C.
What is the InChIKey of N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is ZQLVPKDORPQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-7-17-12-11(2)13(19-10-18-12)20-8-6-15(3,9-20)14(21)16-4/h10H,5-9H2,1-4H3,(H,16,21)(H,17,18,19).
What are the key properties of N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106322286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).