6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

C22H28N6O — CID 90054620

IUPAC6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(CN1CCOCC1)NCc1cccc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C22H28N6O/c1-22(2,14-28-8-10-29-11-9-28)26-13-16-4-3-5-17(12-16)18-6-7-19-20(27-18)21(23)25-15-24-19/h3-7,12,15,26H,8-11,13-14H2,1-2H3,(H2,23,24,25)
InChIKeySFVHXSLQBUSHNJ-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.47
Rot. Bonds6

About 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90054620) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90054620
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(CN1CCOCC1)NCc1cccc(-c2ccc3ncnc(N)c3n2)c1
InChIInChI=1S/C22H28N6O/c1-22(2,14-28-8-10-29-11-9-28)26-13-16-4-3-5-17(12-16)18-6-7-19-20(27-18)21(23)25-15-24-19/h3-7,12,15,26H,8-11,13-14H2,1-2H3,(H2,23,24,25)
InChIKeySFVHXSLQBUSHNJ-UHFFFAOYSA-N
XLogP2.47
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 90054620) is 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is CC(C)(CN1CCOCC1)NCc1cccc(-c2ccc3ncnc(N)c3n2)c1.
What is the InChIKey of 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is SFVHXSLQBUSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-22(2,14-28-8-10-29-11-9-28)26-13-16-4-3-5-17(12-16)18-6-7-19-20(27-18)21(23)25-15-24-19/h3-7,12,15,26H,8-11,13-14H2,1-2H3,(H2,23,24,25).
What are the key properties of 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 392.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90054620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).