N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

C22H21N7O — CID 53321409

IUPACN-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ccc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H21N7O/c23-20-6-5-16(13-25-20)19-12-21(28-22(27-19)29-7-9-30-10-8-29)26-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H2,23,25)(H,26,27,28)
InChIKeyTXJGVISTPOEKKX-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.25
Rot. Bonds4

About N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 53321409) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID53321409
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ccc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H21N7O/c23-20-6-5-16(13-25-20)19-12-21(28-22(27-19)29-7-9-30-10-8-29)26-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H2,23,25)(H,26,27,28)
InChIKeyTXJGVISTPOEKKX-UHFFFAOYSA-N
XLogP3.25
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 53321409) is N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is Nc1ccc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is TXJGVISTPOEKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-20-6-5-16(13-25-20)19-12-21(28-22(27-19)29-7-9-30-10-8-29)26-17-11-15-3-1-2-4-18(15)24-14-17/h1-6,11-14H,7-10H2,(H2,23,25)(H,26,27,28).
What are the key properties of N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine has a molecular weight of 399.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 53321409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).