2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C9H16N4 — CID 80766348

IUPAC2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)C)n1
InChIInChI=1S/C9H16N4/c1-5(2)11-9-6(3)8(10)12-7(4)13-9/h5H,1-4H3,(H3,10,11,12,13)
InChIKeyMTWUAUOZGFJJDM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.50
Rot. Bonds2

About 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80766348) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80766348
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)C)n1
InChIInChI=1S/C9H16N4/c1-5(2)11-9-6(3)8(10)12-7(4)13-9/h5H,1-4H3,(H3,10,11,12,13)
InChIKeyMTWUAUOZGFJJDM-UHFFFAOYSA-N
XLogP1.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80766348) is 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NC(C)C)n1.
What is the InChIKey of 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MTWUAUOZGFJJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-5(2)11-9-6(3)8(10)12-7(4)13-9/h5H,1-4H3,(H3,10,11,12,13).
What are the key properties of 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80766348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).