N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

C11H16N4O — CID 115620732

IUPACN-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc(NCCNC(=O)C2CC2)ncn1
InChIInChI=1S/C11H16N4O/c1-8-6-10(15-7-14-8)12-4-5-13-11(16)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyHISDBVFDKLYHGB-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.72
Rot. Bonds5

About N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115620732) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115620732
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc(NCCNC(=O)C2CC2)ncn1
InChIInChI=1S/C11H16N4O/c1-8-6-10(15-7-14-8)12-4-5-13-11(16)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyHISDBVFDKLYHGB-UHFFFAOYSA-N
XLogP0.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122290861
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide
CID 71799969
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469
4-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298596
1-methylsulfonyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 71799996

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 115620732) is N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is Cc1cc(NCCNC(=O)C2CC2)ncn1.
What is the InChIKey of N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is HISDBVFDKLYHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-6-10(15-7-14-8)12-4-5-13-11(16)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,13,16)(H,12,14,15).
What are the key properties of N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115620732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).