5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

C18H20N8 — CID 138460276

IUPAC5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cncnc4)c3)CC2)c(N)n1
InChIInChI=1S/C18H20N8/c19-17-16(11-23-18(20)24-17)26-6-4-25(5-7-26)15-3-1-2-13(8-15)14-9-21-12-22-10-14/h1-3,8-12H,4-7H2,(H4,19,20,23,24)
InChIKeyJYHQPYJPVMGKIX-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.42
Rot. Bonds3

About 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 138460276) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID138460276
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cncnc4)c3)CC2)c(N)n1
InChIInChI=1S/C18H20N8/c19-17-16(11-23-18(20)24-17)26-6-4-25(5-7-26)15-3-1-2-13(8-15)14-9-21-12-22-10-14/h1-3,8-12H,4-7H2,(H4,19,20,23,24)
InChIKeyJYHQPYJPVMGKIX-UHFFFAOYSA-N
XLogP1.42
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

SB-220025
CID 5164
Fanotaprim
CID 134812633
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
Pik-iii
CID 67983123
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6c
CID 5328346

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 138460276) is 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is Nc1ncc(N2CCN(c3cccc(-c4cncnc4)c3)CC2)c(N)n1.
What is the InChIKey of 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is JYHQPYJPVMGKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c19-17-16(11-23-18(20)24-17)26-6-4-25(5-7-26)15-3-1-2-13(8-15)14-9-21-12-22-10-14/h1-3,8-12H,4-7H2,(H4,19,20,23,24).
What are the key properties of 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 348.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-pyrimidin-5-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 138460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).