2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide

C12H19N5O2 — CID 3069099

IUPAC2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCN1CCCC1
InChIInChI=1S/C12H19N5O2/c1-19-11-9(8-15-12(13)16-11)10(18)14-4-7-17-5-2-3-6-17/h8H,2-7H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyPMWJTRNWXJTPLN-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.11
Rot. Bonds5

About 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide

2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide (PubChem CID 3069099) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
PubChem CID3069099
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCCN1CCCC1
InChIInChI=1S/C12H19N5O2/c1-19-11-9(8-15-12(13)16-11)10(18)14-4-7-17-5-2-3-6-17/h8H,2-7H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyPMWJTRNWXJTPLN-UHFFFAOYSA-N
XLogP-0.11
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.11
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-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide (CID 3069099) is 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide is COc1nc(N)ncc1C(=O)NCCN1CCCC1.
What is the InChIKey of 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is PMWJTRNWXJTPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-19-11-9(8-15-12(13)16-11)10(18)14-4-7-17-5-2-3-6-17/h8H,2-7H2,1H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide?
2-amino-4-methoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.11, 5 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-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 3069099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).