4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

C14H27N5 — CID 80815573

IUPAC4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)C(C)C(C)(C)C)nc(N)n1
InChIInChI=1S/C14H27N5/c1-7-8-16-11-9-12(18-13(15)17-11)19(6)10(2)14(3,4)5/h9-10H,7-8H2,1-6H3,(H3,15,16,17,18)
InChIKeyPWVJXSRIDKHURU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.75
Rot. Bonds5

About 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine

4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80815573) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80815573
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(C)C(C)C(C)(C)C)nc(N)n1
InChIInChI=1S/C14H27N5/c1-7-8-16-11-9-12(18-13(15)17-11)19(6)10(2)14(3,4)5/h9-10H,7-8H2,1-6H3,(H3,15,16,17,18)
InChIKeyPWVJXSRIDKHURU-UHFFFAOYSA-N
XLogP2.75
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80815078
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
CID 80815785
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine (CID 80815573) is 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(C)C(C)C(C)(C)C)nc(N)n1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is PWVJXSRIDKHURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-7-8-16-11-9-12(18-13(15)17-11)19(6)10(2)14(3,4)5/h9-10H,7-8H2,1-6H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 265.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80815573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).