1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide

C10H14ClN5O — CID 1484522

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C10H14ClN5O/c11-7-5-8(15-10(13)14-7)16-3-1-6(2-4-16)9(12)17/h5-6H,1-4H2,(H2,12,17)(H2,13,14,15)
InChIKeyREKVAPJPSBOFRW-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.41
Rot. Bonds2

About 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide

1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 1484522) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID1484522
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C10H14ClN5O/c11-7-5-8(15-10(13)14-7)16-3-1-6(2-4-16)9(12)17/h5-6H,1-4H2,(H2,12,17)(H2,13,14,15)
InChIKeyREKVAPJPSBOFRW-UHFFFAOYSA-N
XLogP0.41
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide (CID 1484522) is 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is REKVAPJPSBOFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c11-7-5-8(15-10(13)14-7)16-3-1-6(2-4-16)9(12)17/h5-6H,1-4H2,(H2,12,17)(H2,13,14,15).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide?
1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 255.71 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 1484522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).