(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide

C11H16FN5O — CID 155002275

IUPAC(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide
SMILESCC1CN(c2ncnc(N)c2F)CC[C@H]1C(N)=O
InChIInChI=1S/C11H16FN5O/c1-6-4-17(3-2-7(6)10(14)18)11-8(12)9(13)15-5-16-11/h5-7H,2-4H2,1H3,(H2,14,18)(H2,13,15,16)/t6?,7-/m1/s1
InChIKeyDLRLBZMMNFTMEA-COBSHVIPSA-N
MW253.28 g/mol
LogP0.15
Rot. Bonds2

About (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide

(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide (PubChem CID 155002275) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide
PubChem CID155002275
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide
SMILESCC1CN(c2ncnc(N)c2F)CC[C@H]1C(N)=O
InChIInChI=1S/C11H16FN5O/c1-6-4-17(3-2-7(6)10(14)18)11-8(12)9(13)15-5-16-11/h5-7H,2-4H2,1H3,(H2,14,18)(H2,13,15,16)/t6?,7-/m1/s1
InChIKeyDLRLBZMMNFTMEA-COBSHVIPSA-N
XLogP0.15
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide?
The IUPAC name of (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide (CID 155002275) is (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide.
What is the SMILES notation for (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide?
The canonical SMILES for (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide is CC1CN(c2ncnc(N)c2F)CC[C@H]1C(N)=O.
What is the InChIKey of (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide?
The InChIKey is DLRLBZMMNFTMEA-COBSHVIPSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-6-4-17(3-2-7(6)10(14)18)11-8(12)9(13)15-5-16-11/h5-7H,2-4H2,1H3,(H2,14,18)(H2,13,15,16)/t6?,7-/m1/s1.
What are the key properties of (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide?
(4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155002275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).