N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine

C12H15N5O — CID 91648608

IUPACN-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2ccc(N)nc2)n1
InChIInChI=1S/C12H15N5O/c1-17(8-9-3-4-10(13)15-7-9)12-14-6-5-11(16-12)18-2/h3-7H,8H2,1-2H3,(H2,13,15)
InChIKeyPZFMZNUEQJJLCT-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.10
Rot. Bonds4

About N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine

N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 91648608) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID91648608
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2ccc(N)nc2)n1
InChIInChI=1S/C12H15N5O/c1-17(8-9-3-4-10(13)15-7-9)12-14-6-5-11(16-12)18-2/h3-7H,8H2,1-2H3,(H2,13,15)
InChIKeyPZFMZNUEQJJLCT-UHFFFAOYSA-N
XLogP1.10
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine (CID 91648608) is N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine is COc1ccnc(N(C)Cc2ccc(N)nc2)n1.
What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is PZFMZNUEQJJLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(8-9-3-4-10(13)15-7-9)12-14-6-5-11(16-12)18-2/h3-7H,8H2,1-2H3,(H2,13,15).
What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 245.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-3-pyridinyl)methyl]-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 91648608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).