N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine

C14H18N4 — CID 60875898

IUPACN-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)N(Cc1ccccc1N)c1ncccn1
InChIInChI=1S/C14H18N4/c1-11(2)18(14-16-8-5-9-17-14)10-12-6-3-4-7-13(12)15/h3-9,11H,10,15H2,1-2H3
InChIKeyYIMOABFMRBNBBR-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.47
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine

N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 60875898) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID60875898
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)N(Cc1ccccc1N)c1ncccn1
InChIInChI=1S/C14H18N4/c1-11(2)18(14-16-8-5-9-17-14)10-12-6-3-4-7-13(12)15/h3-9,11H,10,15H2,1-2H3
InChIKeyYIMOABFMRBNBBR-UHFFFAOYSA-N
XLogP2.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225311
N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
CID 106535415
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine
CID 61239358
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
CID 60876648
N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60876647
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine (CID 60875898) is N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine is CC(C)N(Cc1ccccc1N)c1ncccn1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is YIMOABFMRBNBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11(2)18(14-16-8-5-9-17-14)10-12-6-3-4-7-13(12)15/h3-9,11H,10,15H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine?
N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 60875898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).