N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine

C17H24N4O — CID 82191630

IUPACN'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCc1cc(-c2ccc(OC(C)C)cc2)nc(NCCCN)n1
InChIInChI=1S/C17H24N4O/c1-12(2)22-15-7-5-14(6-8-15)16-11-13(3)20-17(21-16)19-10-4-9-18/h5-8,11-12H,4,9-10,18H2,1-3H3,(H,19,20,21)
InChIKeyAFTSGHSGMUHJMK-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.00
Rot. Bonds7

About N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine

N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine (PubChem CID 82191630) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
PubChem CID82191630
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
SMILESCc1cc(-c2ccc(OC(C)C)cc2)nc(NCCCN)n1
InChIInChI=1S/C17H24N4O/c1-12(2)22-15-7-5-14(6-8-15)16-11-13(3)20-17(21-16)19-10-4-9-18/h5-8,11-12H,4,9-10,18H2,1-3H3,(H,19,20,21)
InChIKeyAFTSGHSGMUHJMK-UHFFFAOYSA-N
XLogP3.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191629
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807
6-methyl-N-(4-propan-2-yloxyphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109318997
2-[2-methyl-4-(4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95466244
3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
CID 82192909
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
N'-[5-(4-methylphenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224560
4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 157488014

Frequently Asked Questions

What is the IUPAC name of N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine?
The IUPAC name of N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine (CID 82191630) is N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine is Cc1cc(-c2ccc(OC(C)C)cc2)nc(NCCCN)n1.
What is the InChIKey of N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine?
The InChIKey is AFTSGHSGMUHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)22-15-7-5-14(6-8-15)16-11-13(3)20-17(21-16)19-10-4-9-18/h5-8,11-12H,4,9-10,18H2,1-3H3,(H,19,20,21).
What are the key properties of N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine?
N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 82191630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).