N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine

C24H27ClN8O2 — CID 171991038

IUPACN-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1cc(-c2cc(NCCn3c(C)cc4c(OC)ccc(Cl)c43)ncn2)ccc1C1NNNN1
InChIInChI=1S/C24H27ClN8O2/c1-14-10-17-20(34-2)7-6-18(25)23(17)33(14)9-8-26-22-12-19(27-13-28-22)15-4-5-16(21(11-15)35-3)24-29-31-32-30-24/h4-7,10-13,24,29-32H,8-9H2,1-3H3,(H,26,27,28)
InChIKeySLQMPKWLUAUNEE-UHFFFAOYSA-N
MW494.99 g/mol
LogP3.31
Rot. Bonds8

About N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine

N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 171991038) has the molecular formula C24H27ClN8O2 and a molecular weight of 494.99 g/mol. Its IUPAC name is N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine
PubChem CID171991038
Molecular FormulaC24H27ClN8O2
Molecular Weight494.99 g/mol
Exact Mass494.19
IUPAC NameN-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1cc(-c2cc(NCCn3c(C)cc4c(OC)ccc(Cl)c43)ncn2)ccc1C1NNNN1
InChIInChI=1S/C24H27ClN8O2/c1-14-10-17-20(34-2)7-6-18(25)23(17)33(14)9-8-26-22-12-19(27-13-28-22)15-4-5-16(21(11-15)35-3)24-29-31-32-30-24/h4-7,10-13,24,29-32H,8-9H2,1-3H3,(H,26,27,28)
InChIKeySLQMPKWLUAUNEE-UHFFFAOYSA-N
XLogP3.31
TPSA109.32 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.99
LogP ≤ 53.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-6-(3-methoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44422563
US20230391786, Example 204
CID 170795251
US12011444, Example 803
CID 135333218
US12011444, Example 658
CID 141525175
US12011444, Example 661
CID 141525295
US12011444, Example 27
CID 141525301
US12011444, Example 208
CID 141525352
US12011444, Example 665
CID 141525353
US12011444, Example 753
CID 149698588
US12011444, Example 358
CID 156759892
US12011444, Example 24
CID 156759919
US12011444, Example 58
CID 171990994

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine (CID 171991038) is N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine is COc1cc(-c2cc(NCCn3c(C)cc4c(OC)ccc(Cl)c43)ncn2)ccc1C1NNNN1.
What is the InChIKey of N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is SLQMPKWLUAUNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O2/c1-14-10-17-20(34-2)7-6-18(25)23(17)33(14)9-8-26-22-12-19(27-13-28-22)15-4-5-16(21(11-15)35-3)24-29-31-32-30-24/h4-7,10-13,24,29-32H,8-9H2,1-3H3,(H,26,27,28).
What are the key properties of N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine?
N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 494.99 g/mol, XLogP of 3.31, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[3-methoxy-4-(tetrazolidin-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 171991038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).