2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C20H21N5O — CID 112935500

IUPAC2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3cccnc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N5O/c1-2-6-17(7-3-1)18-13-19(22-15-16-5-4-8-21-14-16)24-20(23-18)25-9-11-26-12-10-25/h1-8,13-14H,9-12,15H2,(H,22,23,24)
InChIKeyVRAYDRQCHNUWDN-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.99
Rot. Bonds5

About 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 112935500) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID112935500
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1ccc(-c2cc(NCc3cccnc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N5O/c1-2-6-17(7-3-1)18-13-19(22-15-16-5-4-8-21-14-16)24-20(23-18)25-9-11-26-12-10-25/h1-8,13-14H,9-12,15H2,(H,22,23,24)
InChIKeyVRAYDRQCHNUWDN-UHFFFAOYSA-N
XLogP2.99
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
4-[4-phenyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936616
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 53318702
4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936607
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112937236
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)-6-phenylpyrimidin-4-amine
CID 112935476
4-[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914660
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 171982985

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 112935500) is 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is c1ccc(-c2cc(NCc3cccnc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is VRAYDRQCHNUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-6-17(7-3-1)18-13-19(22-15-16-5-4-8-21-14-16)24-20(23-18)25-9-11-26-12-10-25/h1-8,13-14H,9-12,15H2,(H,22,23,24).
What are the key properties of 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 347.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112935500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).