2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine

C17H24N4 — CID 112925381

IUPAC2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-5-9-12-18-16-13-14(2)19-17(20-16)21(3)15-10-7-6-8-11-15/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,18,19,20)
InChIKeySZOPDEASWQRLHT-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.16
Rot. Bonds7

About 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112925381) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112925381
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCCCCNc1cc(C)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-5-9-12-18-16-13-14(2)19-17(20-16)21(3)15-10-7-6-8-11-15/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,18,19,20)
InChIKeySZOPDEASWQRLHT-UHFFFAOYSA-N
XLogP4.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112913498
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N,6-dimethyl-2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916665
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112959814
4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112927646
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine (CID 112925381) is 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine is CCCCCNc1cc(C)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is SZOPDEASWQRLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-5-9-12-18-16-13-14(2)19-17(20-16)21(3)15-10-7-6-8-11-15/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,18,19,20).
What are the key properties of 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).