6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine

C8H15N5 — CID 19134968

IUPAC6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NC(C)C)c1N
InChIInChI=1S/C8H15N5/c1-5(2)13-8-6(9)7(10-3)11-4-12-8/h4-5H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyYRFMQLMKEYOPFH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.92
Rot. Bonds3

About 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine

6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19134968) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
PubChem CID19134968
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NC(C)C)c1N
InChIInChI=1S/C8H15N5/c1-5(2)13-8-6(9)7(10-3)11-4-12-8/h4-5H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyYRFMQLMKEYOPFH-UHFFFAOYSA-N
XLogP0.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine (CID 19134968) is 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine is CNc1ncnc(NC(C)C)c1N.
What is the InChIKey of 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is YRFMQLMKEYOPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-5(2)13-8-6(9)7(10-3)11-4-12-8/h4-5H,9H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 181.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19134968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).