N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide

C14H21N5O2 — CID 122253254

IUPACN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide
SMILESCOc1nc(CNC(=O)C2CCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H21N5O2/c1-21-14-17-11(9-15-12(20)10-5-4-6-10)16-13(18-14)19-7-2-3-8-19/h10H,2-9H2,1H3,(H,15,20)
InChIKeyLENCNRCMDUFQMA-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.90
Rot. Bonds5

About N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide

N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide (PubChem CID 122253254) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide
PubChem CID122253254
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide
SMILESCOc1nc(CNC(=O)C2CCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H21N5O2/c1-21-14-17-11(9-15-12(20)10-5-4-6-10)16-13(18-14)19-7-2-3-8-19/h10H,2-9H2,1H3,(H,15,20)
InChIKeyLENCNRCMDUFQMA-UHFFFAOYSA-N
XLogP0.90
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
CID 122253832
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122252737
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]cyclopentanecarboxamide
CID 122252863
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylpiperidine-3-carboxamide
CID 133344788
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 163357717
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 122253435
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]methanesulfonamide
CID 119099627
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122253425
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide (CID 122253254) is N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide is COc1nc(CNC(=O)C2CCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide?
The InChIKey is LENCNRCMDUFQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-21-14-17-11(9-15-12(20)10-5-4-6-10)16-13(18-14)19-7-2-3-8-19/h10H,2-9H2,1H3,(H,15,20).
What are the key properties of N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide?
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 122253254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).