N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine

C18H26N6 — CID 112887151

IUPACN',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nccc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H26N6/c1-22(2)11-10-20-18-19-9-8-17(21-18)24-14-12-23(13-15-24)16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3,(H,19,20,21)
InChIKeyYXGVUURPNXASES-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.78
Rot. Bonds6

About N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 112887151) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID112887151
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nccc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H26N6/c1-22(2)11-10-20-18-19-9-8-17(21-18)24-14-12-23(13-15-24)16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3,(H,19,20,21)
InChIKeyYXGVUURPNXASES-UHFFFAOYSA-N
XLogP1.78
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
1-(2-Pyridyl)piperazine
CID 94459
N-2-Pyridylaniline
CID 81130
Amprolium ion
CID 2178
2(3H)-Thiazolone, 3,4-diMethyl-5-[2-[[4-(1-piperazinyl)phenyl]aMino]-4-pyriMidinyl]-
CID 11257553
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
CID 163890
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 112887151) is N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine is CN(C)CCNc1nccc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is YXGVUURPNXASES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-22(2)11-10-20-18-19-9-8-17(21-18)24-14-12-23(13-15-24)16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3,(H,19,20,21).
What are the key properties of N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 326.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 112887151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).