7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine

C14H20F2N4 — CID 166877698

IUPAC7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(N2CCCC[C@H]2C)nc2c1CCC2(F)F
InChIInChI=1S/C14H20F2N4/c1-9-5-3-4-8-20(9)13-18-11-10(12(17-2)19-13)6-7-14(11,15)16/h9H,3-8H2,1-2H3,(H,17,18,19)/t9-/m1/s1
InChIKeyWNIWBDUSUGKRHV-SECBINFHSA-N
MW282.34 g/mol
LogP2.94
Rot. Bonds2

About 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine

7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine (PubChem CID 166877698) has the molecular formula C14H20F2N4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
PubChem CID166877698
Molecular FormulaC14H20F2N4
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(N2CCCC[C@H]2C)nc2c1CCC2(F)F
InChIInChI=1S/C14H20F2N4/c1-9-5-3-4-8-20(9)13-18-11-10(12(17-2)19-13)6-7-14(11,15)16/h9H,3-8H2,1-2H3,(H,17,18,19)/t9-/m1/s1
InChIKeyWNIWBDUSUGKRHV-SECBINFHSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine (CID 166877698) is 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine is CNc1nc(N2CCCC[C@H]2C)nc2c1CCC2(F)F.
What is the InChIKey of 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
The InChIKey is WNIWBDUSUGKRHV-SECBINFHSA-N. The full InChI is InChI=1S/C14H20F2N4/c1-9-5-3-4-8-20(9)13-18-11-10(12(17-2)19-13)6-7-14(11,15)16/h9H,3-8H2,1-2H3,(H,17,18,19)/t9-/m1/s1.
What are the key properties of 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine?
7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine has a molecular weight of 282.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-N-methyl-2-[(2R)-2-methylpiperidin-1-yl]-5,6-dihydrocyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 166877698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).