N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

C18H25N5 — CID 112888275

IUPACN-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(Nc3cc(C)ccc3C)n2)CC1
InChIInChI=1S/C18H25N5/c1-4-22-9-11-23(12-10-22)17-7-8-19-18(21-17)20-16-13-14(2)5-6-15(16)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,20,21)
InChIKeyLQUBTMIJHBEJCA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.98
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112888275) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112888275
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(Nc3cc(C)ccc3C)n2)CC1
InChIInChI=1S/C18H25N5/c1-4-22-9-11-23(12-10-22)17-7-8-19-18(21-17)20-16-13-14(2)5-6-15(16)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,20,21)
InChIKeyLQUBTMIJHBEJCA-UHFFFAOYSA-N
XLogP2.98
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914202
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302591
N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897394
N-(2-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888309
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
ethyl 4-[2-(2,4-dimethylanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897903
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
ethyl 2-[[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112888365
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
4-(4-ethylpiperazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 112888335

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (CID 112888275) is N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is CCN1CCN(c2ccnc(Nc3cc(C)ccc3C)n2)CC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is LQUBTMIJHBEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-4-22-9-11-23(12-10-22)17-7-8-19-18(21-17)20-16-13-14(2)5-6-15(16)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112888275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).