N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine

C15H20N4O2 — CID 72867194

IUPACN-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(N(C)CC3COCCO3)ncnc2n1
InChIInChI=1S/C15H20N4O2/c1-10-6-11(2)18-14-13(10)15(17-9-16-14)19(3)7-12-8-20-4-5-21-12/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyIISNBLFLGKJNRO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine

N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72867194) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72867194
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1cc(C)c2c(N(C)CC3COCCO3)ncnc2n1
InChIInChI=1S/C15H20N4O2/c1-10-6-11(2)18-14-13(10)15(17-9-16-14)19(3)7-12-8-20-4-5-21-12/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyIISNBLFLGKJNRO-UHFFFAOYSA-N
XLogP1.49
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine (CID 72867194) is N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine is Cc1cc(C)c2c(N(C)CC3COCCO3)ncnc2n1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is IISNBLFLGKJNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-6-11(2)18-14-13(10)15(17-9-16-14)19(3)7-12-8-20-4-5-21-12/h6,9,12H,4-5,7-8H2,1-3H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72867194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).