N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine

C14H18N4 — CID 62502673

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc(CCN)cc2)ncn1
InChIInChI=1S/C14H18N4/c1-11-8-14(18-10-17-11)16-9-13-4-2-12(3-5-13)6-7-15/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17,18)
InChIKeySIXYXGFQYPCBNX-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.90
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine

N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine (PubChem CID 62502673) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
PubChem CID62502673
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc(CCN)cc2)ncn1
InChIInChI=1S/C14H18N4/c1-11-8-14(18-10-17-11)16-9-13-4-2-12(3-5-13)6-7-15/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17,18)
InChIKeySIXYXGFQYPCBNX-UHFFFAOYSA-N
XLogP1.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine
CID 138052383
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974
6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775741
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133300375
4-N-[(4-ethylphenyl)methyl]pyrimidine-4,6-diamine
CID 113231864
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine (CID 62502673) is N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine is Cc1cc(NCc2ccc(CCN)cc2)ncn1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is SIXYXGFQYPCBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-8-14(18-10-17-11)16-9-13-4-2-12(3-5-13)6-7-15/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17,18).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62502673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).