6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C22H26N4O2 — CID 11639470

IUPAC6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(N(C)C)cc3)nc(OC)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-26(2)18-9-7-17(8-10-18)20-15-21(25-22(24-20)28-4)23-14-13-16-5-11-19(27-3)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,23,24,25)
InChIKeyICYPTMNUYMAVJH-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.88
Rot. Bonds8

About 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 11639470) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID11639470
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(N(C)C)cc3)nc(OC)n2)cc1
InChIInChI=1S/C22H26N4O2/c1-26(2)18-9-7-17(8-10-18)20-15-21(25-22(24-20)28-4)23-14-13-16-5-11-19(27-3)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,23,24,25)
InChIKeyICYPTMNUYMAVJH-UHFFFAOYSA-N
XLogP3.88
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Verubulin
CID 11414799
Zotiraciclib
CID 16739650
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 11639470) is 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3ccc(N(C)C)cc3)nc(OC)n2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is ICYPTMNUYMAVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-26(2)18-9-7-17(8-10-18)20-15-21(25-22(24-20)28-4)23-14-13-16-5-11-19(27-3)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,23,24,25).
What are the key properties of 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 11639470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).