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

C12H19N5O — CID 113481504

IUPACN-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCc1nc(N)cc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-2-10-16-9(13)7-11(17-10)14-5-6-15-12(18)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,18)(H3,13,14,16,17)
InChIKeyDXVPPJFVHGXREC-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.56
Rot. Bonds6

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

N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113481504) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113481504
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCc1nc(N)cc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C12H19N5O/c1-2-10-16-9(13)7-11(17-10)14-5-6-15-12(18)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,18)(H3,13,14,16,17)
InChIKeyDXVPPJFVHGXREC-UHFFFAOYSA-N
XLogP0.56
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.56
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

2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941585
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 113481504) is N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is CCc1nc(N)cc(NCCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is DXVPPJFVHGXREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-10-16-9(13)7-11(17-10)14-5-6-15-12(18)8-3-4-8/h7-8H,2-6H2,1H3,(H,15,18)(H3,13,14,16,17).
What are the key properties of N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).