N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine

C17H24N4 — CID 61239410

IUPACN-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(N(Cc2ccc(N)cc2)C(C)C)ncn1
InChIInChI=1S/C17H24N4/c1-12(2)16-9-17(20-11-19-16)21(13(3)4)10-14-5-7-15(18)8-6-14/h5-9,11-13H,10,18H2,1-4H3
InChIKeyRBTBVAOAFIYPHK-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.60
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine

N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine (PubChem CID 61239410) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine
PubChem CID61239410
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(N(Cc2ccc(N)cc2)C(C)C)ncn1
InChIInChI=1S/C17H24N4/c1-12(2)16-9-17(20-11-19-16)21(13(3)4)10-14-5-7-15(18)8-6-14/h5-9,11-13H,10,18H2,1-4H3
InChIKeyRBTBVAOAFIYPHK-UHFFFAOYSA-N
XLogP3.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N-Cyclohexylquinazolin-4-amine
CID 13231190
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine (CID 61239410) is N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine is CC(C)c1cc(N(Cc2ccc(N)cc2)C(C)C)ncn1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine?
The InChIKey is RBTBVAOAFIYPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)16-9-17(20-11-19-16)21(13(3)4)10-14-5-7-15(18)8-6-14/h5-9,11-13H,10,18H2,1-4H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine?
N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 61239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).