N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C19H21N7 — CID 122281848

IUPACN-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCN(c3cc(-c4ccccc4)ncn3)CC2)ncn1
InChIInChI=1S/C19H21N7/c1-20-17-12-19(24-14-22-17)26-9-7-25(8-10-26)18-11-16(21-13-23-18)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H,20,22,24)
InChIKeyZMIZAFPMEHONQA-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.30
Rot. Bonds4

About N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 122281848) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID122281848
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC NameN-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCN(c3cc(-c4ccccc4)ncn3)CC2)ncn1
InChIInChI=1S/C19H21N7/c1-20-17-12-19(24-14-22-17)26-9-7-25(8-10-26)18-11-16(21-13-23-18)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H,20,22,24)
InChIKeyZMIZAFPMEHONQA-UHFFFAOYSA-N
XLogP2.30
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 122281848) is N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCN(c3cc(-c4ccccc4)ncn3)CC2)ncn1.
What is the InChIKey of N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is ZMIZAFPMEHONQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-20-17-12-19(24-14-22-17)26-9-7-25(8-10-26)18-11-16(21-13-23-18)15-5-3-2-4-6-15/h2-6,11-14H,7-10H2,1H3,(H,20,22,24).
What are the key properties of N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 347.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122281848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).