2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide

C14H23N5O2 — CID 3055433

IUPAC2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCN1CCCC1CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C14H23N5O2/c1-3-6-19-7-4-5-10(19)8-16-12(20)11-9-17-14(15)18-13(11)21-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyXJALSMVIVCSTQE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.67
Rot. Bonds6

About 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide

2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 3055433) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID3055433
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCN1CCCC1CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C14H23N5O2/c1-3-6-19-7-4-5-10(19)8-16-12(20)11-9-17-14(15)18-13(11)21-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18)
InChIKeyXJALSMVIVCSTQE-UHFFFAOYSA-N
XLogP0.67
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide (CID 3055433) is 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide is CCCN1CCCC1CNC(=O)c1cnc(N)nc1OC.
What is the InChIKey of 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is XJALSMVIVCSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-6-19-7-4-5-10(19)8-16-12(20)11-9-17-14(15)18-13(11)21-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide?
2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 3055433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).