N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine

C28H31N5O2 — CID 67307196

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(CCNc2nccc(-c3cc(N4CCNCC4)c4cc(OC)ccc4c3)n2)cc1
InChIInChI=1S/C28H31N5O2/c1-34-23-6-3-20(4-7-23)9-11-30-28-31-12-10-26(32-28)22-17-21-5-8-24(35-2)19-25(21)27(18-22)33-15-13-29-14-16-33/h3-8,10,12,17-19,29H,9,11,13-16H2,1-2H3,(H,30,31,32)
InChIKeyNOZVPYUYCKKFSU-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.38
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine

N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine (PubChem CID 67307196) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
PubChem CID67307196
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(CCNc2nccc(-c3cc(N4CCNCC4)c4cc(OC)ccc4c3)n2)cc1
InChIInChI=1S/C28H31N5O2/c1-34-23-6-3-20(4-7-23)9-11-30-28-31-12-10-26(32-28)22-17-21-5-8-24(35-2)19-25(21)27(18-22)33-15-13-29-14-16-33/h3-8,10,12,17-19,29H,9,11,13-16H2,1-2H3,(H,30,31,32)
InChIKeyNOZVPYUYCKKFSU-UHFFFAOYSA-N
XLogP4.38
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
CID 67308057
N-[(3-methoxyphenyl)methyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
CID 67305872
4-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]piperazine-1-carboximidamide
CID 53257951
N-(1-benzylpiperidin-4-yl)-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine;4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 159397738
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)pyrimidine
CID 58336464
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine
CID 58336495
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
6-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237076
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
3-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103516

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine (CID 67307196) is N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine is COc1ccc(CCNc2nccc(-c3cc(N4CCNCC4)c4cc(OC)ccc4c3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine?
The InChIKey is NOZVPYUYCKKFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-34-23-6-3-20(4-7-23)9-11-30-28-31-12-10-26(32-28)22-17-21-5-8-24(35-2)19-25(21)27(18-22)33-15-13-29-14-16-33/h3-8,10,12,17-19,29H,9,11,13-16H2,1-2H3,(H,30,31,32).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine?
N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine has a molecular weight of 469.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 67307196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).