4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine

C21H21N5O — CID 90199490

IUPAC4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1C1=CCCNC1
InChIInChI=1S/C21H21N5O/c22-20-19(15-5-4-12-23-13-15)21(25-14-24-20)26-16-8-10-18(11-9-16)27-17-6-2-1-3-7-17/h1-3,5-11,14,23H,4,12-13H2,(H3,22,24,25,26)
InChIKeyARVHAYNMPMWOQR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.97
Rot. Bonds5

About 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine

4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine (PubChem CID 90199490) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine
PubChem CID90199490
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1C1=CCCNC1
InChIInChI=1S/C21H21N5O/c22-20-19(15-5-4-12-23-13-15)21(25-14-24-20)26-16-8-10-18(11-9-16)27-17-6-2-1-3-7-17/h1-3,5-11,14,23H,4,12-13H2,(H3,22,24,25,26)
InChIKeyARVHAYNMPMWOQR-UHFFFAOYSA-N
XLogP3.97
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 71092816
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
4-N-(3,4-dichlorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546939
4-N-(3,4-difluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153925
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
5-(4-phenoxyphenyl)-4-N-(pyrrolidin-3-ylmethyl)pyrimidine-4,6-diamine
CID 71092961
N-[3-[4-amino-6-(4-phenoxyanilino)pyrimidin-5-yl]phenyl]-2-cyanoprop-2-enamide
CID 90226010
5-(4-phenoxyphenyl)-6-[(piperidin-4-ylamino)methyl]pyrimidin-4-amine
CID 155797201
N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
CID 166538822
5-nitro-4-N,6-N-bis(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 22538995
4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19154145

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine (CID 90199490) is 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine is Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1C1=CCCNC1.
What is the InChIKey of 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine?
The InChIKey is ARVHAYNMPMWOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-20-19(15-5-4-12-23-13-15)21(25-14-24-20)26-16-8-10-18(11-9-16)27-17-6-2-1-3-7-17/h1-3,5-11,14,23H,4,12-13H2,(H3,22,24,25,26).
What are the key properties of 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine?
4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine has a molecular weight of 359.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-phenoxyphenyl)-5-(1,2,3,6-tetrahydropyridin-5-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 90199490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).