1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine

C16H20ClN5O — CID 87544751

IUPAC1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine
SMILESCC(N)(Cc1nc(Cl)cc(N2CCOCC2)n1)c1cccnc1
InChIInChI=1S/C16H20ClN5O/c1-16(18,12-3-2-4-19-11-12)10-14-20-13(17)9-15(21-14)22-5-7-23-8-6-22/h2-4,9,11H,5-8,10,18H2,1H3
InChIKeyRRXWDLROGPQDPF-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine

1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine (PubChem CID 87544751) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine
PubChem CID87544751
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine
SMILESCC(N)(Cc1nc(Cl)cc(N2CCOCC2)n1)c1cccnc1
InChIInChI=1S/C16H20ClN5O/c1-16(18,12-3-2-4-19-11-12)10-14-20-13(17)9-15(21-14)22-5-7-23-8-6-22/h2-4,9,11H,5-8,10,18H2,1H3
InChIKeyRRXWDLROGPQDPF-UHFFFAOYSA-N
XLogP1.78
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine (CID 87544751) is 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine is CC(N)(Cc1nc(Cl)cc(N2CCOCC2)n1)c1cccnc1.
What is the InChIKey of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine?
The InChIKey is RRXWDLROGPQDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-16(18,12-3-2-4-19-11-12)10-14-20-13(17)9-15(21-14)22-5-7-23-8-6-22/h2-4,9,11H,5-8,10,18H2,1H3.
What are the key properties of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine?
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine has a molecular weight of 333.82 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 87544751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).