6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine

C18H26N6 — CID 66670013

IUPAC6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)ncn1
InChIInChI=1S/C18H26N6/c1-14(2)23-8-10-24(11-9-23)16-6-4-15(5-7-16)22-18-12-17(19-3)20-13-21-18/h4-7,12-14H,8-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyJDLXAINAUMRRRY-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.79
Rot. Bonds5

About 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine (PubChem CID 66670013) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
PubChem CID66670013
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)ncn1
InChIInChI=1S/C18H26N6/c1-14(2)23-8-10-24(11-9-23)16-6-4-15(5-7-16)22-18-12-17(19-3)20-13-21-18/h4-7,12-14H,8-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyJDLXAINAUMRRRY-UHFFFAOYSA-N
XLogP2.79
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine (CID 66670013) is 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine is CNc1cc(Nc2ccc(N3CCN(C(C)C)CC3)cc2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is JDLXAINAUMRRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-14(2)23-8-10-24(11-9-23)16-6-4-15(5-7-16)22-18-12-17(19-3)20-13-21-18/h4-7,12-14H,8-11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 66670013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).