6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine

C16H15Cl2FN4 — CID 135333900

IUPAC6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(F)cc(Cl)c2c1cc(C)n2CCNc1cc(Cl)ncn1
InChIInChI=1S/C16H15Cl2FN4/c1-9-5-11-10(2)13(19)6-12(17)16(11)23(9)4-3-20-15-7-14(18)21-8-22-15/h5-8H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyWBALSJRTULBNLC-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.61
Rot. Bonds4

About 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 135333900) has the molecular formula C16H15Cl2FN4 and a molecular weight of 353.23 g/mol. Its IUPAC name is 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID135333900
Molecular FormulaC16H15Cl2FN4
Molecular Weight353.23 g/mol
Exact Mass352.07
IUPAC Name6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(F)cc(Cl)c2c1cc(C)n2CCNc1cc(Cl)ncn1
InChIInChI=1S/C16H15Cl2FN4/c1-9-5-11-10(2)13(19)6-12(17)16(11)23(9)4-3-20-15-7-14(18)21-8-22-15/h5-8H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyWBALSJRTULBNLC-UHFFFAOYSA-N
XLogP4.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[6-[2-(7-chloro-5-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-2-fluorobenzoate
CID 135333391
6-chloro-N-[2-(7-chloro-3-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
CID 135333904
4-[6-[2-(7-chloro-4-fluoro-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-2-ethoxybenzoic acid
CID 135333483
N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 156759935
4-[6-[2-(4-chloro-7-fluoro-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-2-ethoxybenzoic acid
CID 135333460
4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile
CID 135333626
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
CID 156760110
N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
CID 175702369
5-[4-[6-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethylamino]pyrimidin-4-yl]phenyl]-1,3-oxazol-2-amine
CID 171991019
N-[2-(6,7-difluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(2-methyl-1H-imidazol-5-yl)phenyl]pyrimidin-4-amine
CID 135333232
2-ethoxy-4-[6-[2-(4,5,7-trifluoro-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]benzoic acid
CID 135333598
4-[6-[2-(5-chloro-7-methyl-[1,3]dioxolo[4,5-e]indol-6-yl)ethylamino]pyrimidin-4-yl]-2-ethoxybenzoic acid
CID 135333443

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine (CID 135333900) is 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine is Cc1c(F)cc(Cl)c2c1cc(C)n2CCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is WBALSJRTULBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN4/c1-9-5-11-10(2)13(19)6-12(17)16(11)23(9)4-3-20-15-7-14(18)21-8-22-15/h5-8H,3-4H2,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 353.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(7-chloro-5-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135333900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).