N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine

C13H16N4O — CID 66317606

IUPACN-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)c2ccc(CN)cc2)ncn1
InChIInChI=1S/C13H16N4O/c1-17(11-5-3-10(8-14)4-6-11)12-7-13(18-2)16-9-15-12/h3-7,9H,8,14H2,1-2H3
InChIKeyQVYHUVRNRGPKER-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.71
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine

N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine (PubChem CID 66317606) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine
PubChem CID66317606
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine
SMILESCOc1cc(N(C)c2ccc(CN)cc2)ncn1
InChIInChI=1S/C13H16N4O/c1-17(11-5-3-10(8-14)4-6-11)12-7-13(18-2)16-9-15-12/h3-7,9H,8,14H2,1-2H3
InChIKeyQVYHUVRNRGPKER-UHFFFAOYSA-N
XLogP1.71
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine (CID 66317606) is N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine is COc1cc(N(C)c2ccc(CN)cc2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is QVYHUVRNRGPKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(11-5-3-10(8-14)4-6-11)12-7-13(18-2)16-9-15-12/h3-7,9H,8,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine?
N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66317606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).