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

C18H23N5O2 — CID 3055422

IUPAC2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-25-17-15(11-21-18(19)22-17)16(24)20-10-14-8-5-9-23(14)12-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,24)(H2,19,21,22)
InChIKeyITUXXWAKOIUTTP-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.46
Rot. Bonds6

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

2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055422) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3055422
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCOc1nc(N)ncc1C(=O)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-25-17-15(11-21-18(19)22-17)16(24)20-10-14-8-5-9-23(14)12-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,24)(H2,19,21,22)
InChIKeyITUXXWAKOIUTTP-UHFFFAOYSA-N
XLogP1.46
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.46
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-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (CID 3055422) is 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is COc1nc(N)ncc1C(=O)NCC1CCCN1Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is ITUXXWAKOIUTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-17-15(11-21-18(19)22-17)16(24)20-10-14-8-5-9-23(14)12-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,24)(H2,19,21,22).
What are the key properties of 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).