5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine

C21H21N9O — CID 59507597

IUPAC5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C21H21N9O/c22-19-15(12-25-20(23)29-19)17-10-18(28-21(27-17)30-5-7-31-8-6-30)26-14-9-13-3-1-2-4-16(13)24-11-14/h1-4,9-12H,5-8H2,(H,26,27,28)(H4,22,23,25,29)
InChIKeyGBJKAVZJDAJVMO-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.23
Rot. Bonds4

About 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine

5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 59507597) has the molecular formula C21H21N9O and a molecular weight of 415.46 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine
PubChem CID59507597
Molecular FormulaC21H21N9O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(N)n1
InChIInChI=1S/C21H21N9O/c22-19-15(12-25-20(23)29-19)17-10-18(28-21(27-17)30-5-7-31-8-6-30)26-14-9-13-3-1-2-4-16(13)24-11-14/h1-4,9-12H,5-8H2,(H,26,27,28)(H4,22,23,25,29)
InChIKeyGBJKAVZJDAJVMO-UHFFFAOYSA-N
XLogP2.23
TPSA140.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine (CID 59507597) is 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine is Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(N)n1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is GBJKAVZJDAJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O/c22-19-15(12-25-20(23)29-19)17-10-18(28-21(27-17)30-5-7-31-8-6-30)26-14-9-13-3-1-2-4-16(13)24-11-14/h1-4,9-12H,5-8H2,(H,26,27,28)(H4,22,23,25,29).
What are the key properties of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine?
5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 415.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59507597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).