4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine

C19H27N5 — CID 77463321

IUPAC4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine
SMILESCCCc1cc(N2CCCC2C)nc(Nc2ccc(C)c(N)c2)n1
InChIInChI=1S/C19H27N5/c1-4-6-15-12-18(24-10-5-7-14(24)3)23-19(21-15)22-16-9-8-13(2)17(20)11-16/h8-9,11-12,14H,4-7,10,20H2,1-3H3,(H,21,22,23)
InChIKeyRLSZNZSQFPLDKG-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.05
Rot. Bonds5

About 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine

4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine (PubChem CID 77463321) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine
PubChem CID77463321
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine
SMILESCCCc1cc(N2CCCC2C)nc(Nc2ccc(C)c(N)c2)n1
InChIInChI=1S/C19H27N5/c1-4-6-15-12-18(24-10-5-7-14(24)3)23-19(21-15)22-16-9-8-13(2)17(20)11-16/h8-9,11-12,14H,4-7,10,20H2,1-3H3,(H,21,22,23)
InChIKeyRLSZNZSQFPLDKG-UHFFFAOYSA-N
XLogP4.05
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine (CID 77463321) is 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine is CCCc1cc(N2CCCC2C)nc(Nc2ccc(C)c(N)c2)n1.
What is the InChIKey of 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine?
The InChIKey is RLSZNZSQFPLDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-4-6-15-12-18(24-10-5-7-14(24)3)23-19(21-15)22-16-9-8-13(2)17(20)11-16/h8-9,11-12,14H,4-7,10,20H2,1-3H3,(H,21,22,23).
What are the key properties of 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine?
4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine has a molecular weight of 325.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 77463321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).