N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine

C15H20N4 — CID 61225311

IUPACN-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(Cc2ccccc2N)C(C)C)ncn1
InChIInChI=1S/C15H20N4/c1-11(2)19(15-8-12(3)17-10-18-15)9-13-6-4-5-7-14(13)16/h4-8,10-11H,9,16H2,1-3H3
InChIKeyQGSFYOKQXUNTJS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.78
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine

N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 61225311) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID61225311
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(Cc2ccccc2N)C(C)C)ncn1
InChIInChI=1S/C15H20N4/c1-11(2)19(15-8-12(3)17-10-18-15)9-13-6-4-5-7-14(13)16/h4-8,10-11H,9,16H2,1-3H3
InChIKeyQGSFYOKQXUNTJS-UHFFFAOYSA-N
XLogP2.78
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.78
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]-6-ethyl-N-propan-2-ylpyrimidin-4-amine
CID 61239358
N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 60875898
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
N-(2-bromoethyl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80671883
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60876647
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
CID 106535415
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
CID 60876648

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine (CID 61225311) is N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine is Cc1cc(N(Cc2ccccc2N)C(C)C)ncn1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is QGSFYOKQXUNTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)19(15-8-12(3)17-10-18-15)9-13-6-4-5-7-14(13)16/h4-8,10-11H,9,16H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 2.78, 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]-6-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 61225311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).