4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine

C12H23N5 — CID 80815883

IUPAC4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)CC(C)Nc1cc(N)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-17(6-2)8-9(3)14-12-7-11(13)15-10(4)16-12/h7,9H,5-6,8H2,1-4H3,(H3,13,14,15,16)
InChIKeyGVUQFKRVKXWWSN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.51
Rot. Bonds6

About 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine

4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80815883) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
PubChem CID80815883
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)CC(C)Nc1cc(N)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-17(6-2)8-9(3)14-12-7-11(13)15-10(4)16-12/h7,9H,5-6,8H2,1-4H3,(H3,13,14,15,16)
InChIKeyGVUQFKRVKXWWSN-UHFFFAOYSA-N
XLogP1.51
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine (CID 80815883) is 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine is CCN(CC)CC(C)Nc1cc(N)nc(C)n1.
What is the InChIKey of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is GVUQFKRVKXWWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-17(6-2)8-9(3)14-12-7-11(13)15-10(4)16-12/h7,9H,5-6,8H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80815883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).