5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine

C17H19Cl2N5O — CID 171572985

IUPAC5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(N)COc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H19Cl2N5O/c1-10(20)9-25-14-15(18)23-17(19)24-16(14)21-7-6-11-8-22-13-5-3-2-4-12(11)13/h2-5,8,10,22H,6-7,9,20H2,1H3,(H,21,23,24)
InChIKeyJQUQBJCHGMISJY-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.65
Rot. Bonds7

About 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine

5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 171572985) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID171572985
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC Name5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(N)COc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H19Cl2N5O/c1-10(20)9-25-14-15(18)23-17(19)24-16(14)21-7-6-11-8-22-13-5-3-2-4-12(11)13/h2-5,8,10,22H,6-7,9,20H2,1H3,(H,21,23,24)
InChIKeyJQUQBJCHGMISJY-UHFFFAOYSA-N
XLogP3.65
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 171572982
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
CID 171572995
2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
CID 146598277
4-N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidine-4,5-diamine
CID 82455159
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
2-N-butan-2-yl-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 146598297
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-propan-2-yloxypyrimidin-4-amine
CID 135376643
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-7-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 146409420

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 171572985) is 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine is CC(N)COc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JQUQBJCHGMISJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O/c1-10(20)9-25-14-15(18)23-17(19)24-16(14)21-7-6-11-8-22-13-5-3-2-4-12(11)13/h2-5,8,10,22H,6-7,9,20H2,1H3,(H,21,23,24).
What are the key properties of 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine?
5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 380.28 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropoxy)-2,6-dichloro-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 171572985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).