2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide

C10H14FN5O — CID 155612825

IUPAC2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N[C@@H]2CCNC[C@@H]2F)n1
InChIInChI=1S/C10H14FN5O/c11-6-5-13-3-1-7(6)15-10-14-4-2-8(16-10)9(12)17/h2,4,6-7,13H,1,3,5H2,(H2,12,17)(H,14,15,16)/t6-,7+/m0/s1
InChIKeyVUPCAJQDXDXUMO-NKWVEPMBSA-N
MW239.25 g/mol
LogP-0.31
Rot. Bonds3

About 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide

2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide (PubChem CID 155612825) has the molecular formula C10H14FN5O and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide
PubChem CID155612825
Molecular FormulaC10H14FN5O
Molecular Weight239.25 g/mol
Exact Mass239.12
IUPAC Name2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N[C@@H]2CCNC[C@@H]2F)n1
InChIInChI=1S/C10H14FN5O/c11-6-5-13-3-1-7(6)15-10-14-4-2-8(16-10)9(12)17/h2,4,6-7,13H,1,3,5H2,(H2,12,17)(H,14,15,16)/t6-,7+/m0/s1
InChIKeyVUPCAJQDXDXUMO-NKWVEPMBSA-N
XLogP-0.31
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide (CID 155612825) is 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N[C@@H]2CCNC[C@@H]2F)n1.
What is the InChIKey of 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide?
The InChIKey is VUPCAJQDXDXUMO-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H14FN5O/c11-6-5-13-3-1-7(6)15-10-14-4-2-8(16-10)9(12)17/h2,4,6-7,13H,1,3,5H2,(H2,12,17)(H,14,15,16)/t6-,7+/m0/s1.
What are the key properties of 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide?
2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide has a molecular weight of 239.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 155612825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).