4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine

C18H20N6O2 — CID 58757230

IUPAC4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1
InChIInChI=1S/C18H20N6O2/c1-25-15-7-9-19-17(23-15)21-11-13-3-5-14(6-4-13)12-22-18-20-10-8-16(24-18)26-2/h3-10H,11-12H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyVSVRSKFNNYMZLM-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.51
Rot. Bonds8

About 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine

4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine (PubChem CID 58757230) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
PubChem CID58757230
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1
InChIInChI=1S/C18H20N6O2/c1-25-15-7-9-19-17(23-15)21-11-13-3-5-14(6-4-13)12-22-18-20-10-8-16(24-18)26-2/h3-10H,11-12H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyVSVRSKFNNYMZLM-UHFFFAOYSA-N
XLogP2.51
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine (CID 58757230) is 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine is COc1ccnc(NCc2ccc(CNc3nccc(OC)n3)cc2)n1.
What is the InChIKey of 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine?
The InChIKey is VSVRSKFNNYMZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-25-15-7-9-19-17(23-15)21-11-13-3-5-14(6-4-13)12-22-18-20-10-8-16(24-18)26-2/h3-10H,11-12H2,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 58757230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).