4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine

C15H17N5O — CID 82455159

IUPAC4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(NCCc2c[nH]c3ccccc23)c1N
InChIInChI=1S/C15H17N5O/c1-21-15-13(16)14(19-9-20-15)17-7-6-10-8-18-12-5-3-2-4-11(10)12/h2-5,8-9,18H,6-7,16H2,1H3,(H,17,19,20)
InChIKeyJKVCDSCJJKAZBL-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.20
Rot. Bonds5

About 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine

4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine (PubChem CID 82455159) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
PubChem CID82455159
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
SMILESCOc1ncnc(NCCc2c[nH]c3ccccc23)c1N
InChIInChI=1S/C15H17N5O/c1-21-15-13(16)14(19-9-20-15)17-7-6-10-8-18-12-5-3-2-4-11(10)12/h2-5,8-9,18H,6-7,16H2,1H3,(H,17,19,20)
InChIKeyJKVCDSCJJKAZBL-UHFFFAOYSA-N
XLogP2.20
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
methyl 4-[2-(1H-indol-3-yl)ethylamino]-9H-pyrimido[4,5-b]indole-7-carboxylate
CID 156516653
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 59555595
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572985
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
4-N-benzyl-6-N-[2-(1H-indol-3-yl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859437
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572982

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine (CID 82455159) is 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine is COc1ncnc(NCCc2c[nH]c3ccccc23)c1N.
What is the InChIKey of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine?
The InChIKey is JKVCDSCJJKAZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-21-15-13(16)14(19-9-20-15)17-7-6-10-8-18-12-5-3-2-4-11(10)12/h2-5,8-9,18H,6-7,16H2,1H3,(H,17,19,20).
What are the key properties of 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine?
4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine has a molecular weight of 283.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82455159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).