2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide

C15H25N5O2 — CID 3055423

IUPAC2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCCCN1CCCC1CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C15H25N5O2/c1-3-4-7-20-8-5-6-11(20)9-17-13(21)12-10-18-15(16)19-14(12)22-2/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyFKHFTQVOXAAYCB-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.06
Rot. Bonds7

About 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide

2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055423) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3055423
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCCCN1CCCC1CNC(=O)c1cnc(N)nc1OC
InChIInChI=1S/C15H25N5O2/c1-3-4-7-20-8-5-6-11(20)9-17-13(21)12-10-18-15(16)19-14(12)22-2/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyFKHFTQVOXAAYCB-UHFFFAOYSA-N
XLogP1.06
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (CID 3055423) is 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is CCCCN1CCCC1CNC(=O)c1cnc(N)nc1OC.
What is the InChIKey of 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is FKHFTQVOXAAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-3-4-7-20-8-5-6-11(20)9-17-13(21)12-10-18-15(16)19-14(12)22-2/h10-11H,3-9H2,1-2H3,(H,17,21)(H2,16,18,19).
What are the key properties of 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-butylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).