4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

C12H23N5 — CID 80776337

IUPAC4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)C(C)CC)nc(N)n1
InChIInChI=1S/C12H23N5/c1-5-7-14-10-8-11(16-12(13)15-10)17(4)9(3)6-2/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyKSJYMPHBNUYTCB-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds6

About 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80776337) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80776337
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)C(C)CC)nc(N)n1
InChIInChI=1S/C12H23N5/c1-5-7-14-10-8-11(16-12(13)15-10)17(4)9(3)6-2/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyKSJYMPHBNUYTCB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
CID 80815785
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967348
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112668103

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (CID 80776337) is 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(C)C(C)CC)nc(N)n1.
What is the InChIKey of 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is KSJYMPHBNUYTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-7-14-10-8-11(16-12(13)15-10)17(4)9(3)6-2/h8-9H,5-7H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80776337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).