[6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate

C16H13FN6O2 — CID 90113846

IUPAC[6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate
SMILESCc1ccc(Nc2cncnc2)c(OC(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C16H13FN6O2/c1-10-2-4-13(22-12-7-18-9-19-8-12)15(21-10)25-16(24)23-14-5-3-11(17)6-20-14/h2-9,22H,1H3,(H,20,23,24)
InChIKeyOQBDUOFNIYWMAN-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.07
Rot. Bonds4

About [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate

[6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate (PubChem CID 90113846) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate
PubChem CID90113846
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name[6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate
SMILESCc1ccc(Nc2cncnc2)c(OC(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C16H13FN6O2/c1-10-2-4-13(22-12-7-18-9-19-8-12)15(21-10)25-16(24)23-14-5-3-11(17)6-20-14/h2-9,22H,1H3,(H,20,23,24)
InChIKeyOQBDUOFNIYWMAN-UHFFFAOYSA-N
XLogP3.07
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate
CID 90114051
[6-methyl-3-(pyridin-3-ylamino)-2-pyridinyl] N-(5-methyl-1,3-thiazol-2-yl)carbamate
CID 90114025
6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 11645557
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
N-(5-fluoro-2-pyridinyl)-6-methyl-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
CID 11996474
ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
CID 113036336
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide
CID 130840916
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443053
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657
N-(5-fluoro-2-pyridinyl)-1-methylsulfanylcyclopropane-1-carboxamide
CID 126770682

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
The IUPAC name of [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate (CID 90113846) is [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate.
What is the SMILES notation for [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
The canonical SMILES for [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate is Cc1ccc(Nc2cncnc2)c(OC(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
The InChIKey is OQBDUOFNIYWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c1-10-2-4-13(22-12-7-18-9-19-8-12)15(21-10)25-16(24)23-14-5-3-11(17)6-20-14/h2-9,22H,1H3,(H,20,23,24).
What are the key properties of [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate?
[6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate has a molecular weight of 340.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-(5-fluoro-2-pyridinyl)carbamate is sourced from PubChem (CID 90113846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).