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

C12H19N5O — CID 113481499

IUPACN-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
SMILESCCNc1cc(NCCNC(=O)C2CC2)ncn1
InChIInChI=1S/C12H19N5O/c1-2-13-10-7-11(17-8-16-10)14-5-6-15-12(18)9-3-4-9/h7-9H,2-6H2,1H3,(H,15,18)(H2,13,14,16,17)
InChIKeyWMARHRWARMPJML-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.85
Rot. Bonds7

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

N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 113481499) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
PubChem CID113481499
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
SMILESCCNc1cc(NCCNC(=O)C2CC2)ncn1
InChIInChI=1S/C12H19N5O/c1-2-13-10-7-11(17-8-16-10)14-5-6-15-12(18)9-3-4-9/h7-9H,2-6H2,1H3,(H,15,18)(H2,13,14,16,17)
InChIKeyWMARHRWARMPJML-UHFFFAOYSA-N
XLogP0.85
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentanecarboxamide
CID 71799969
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122290861
N-[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481443
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481504
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
1-methylsulfonyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 71799996
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 75424390
2-cyclopropyl-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293395

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide (CID 113481499) is N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide is CCNc1cc(NCCNC(=O)C2CC2)ncn1.
What is the InChIKey of N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is WMARHRWARMPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-13-10-7-11(17-8-16-10)14-5-6-15-12(18)9-3-4-9/h7-9H,2-6H2,1H3,(H,15,18)(H2,13,14,16,17).
What are the key properties of N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).