N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine

C14H17N3O — CID 61226702

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
SMILESCOCc1cccc(CNc2cc(C)ncn2)c1
InChIInChI=1S/C14H17N3O/c1-11-6-14(17-10-16-11)15-8-12-4-3-5-13(7-12)9-18-2/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyZCFWQFNZFCHTBK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine

N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine (PubChem CID 61226702) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
PubChem CID61226702
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
SMILESCOCc1cccc(CNc2cc(C)ncn2)c1
InChIInChI=1S/C14H17N3O/c1-11-6-14(17-10-16-11)15-8-12-4-3-5-13(7-12)9-18-2/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyZCFWQFNZFCHTBK-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
6-methyl-N-[(2-phenylmethoxyphenyl)methyl]pyrimidin-4-amine
CID 133297453
N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 54896746
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297094
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 62502673

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine (CID 61226702) is N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine is COCc1cccc(CNc2cc(C)ncn2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is ZCFWQFNZFCHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-6-14(17-10-16-11)15-8-12-4-3-5-13(7-12)9-18-2/h3-7,10H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 61226702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).