[4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone

C14H21N5O — CID 72868106

IUPAC[4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C14H21N5O/c20-14(18-7-1-2-8-18)19-9-4-12(5-10-19)17-13-3-6-15-11-16-13/h3,6,11-12H,1-2,4-5,7-10H2,(H,15,16,17)
InChIKeyDRGCVNFXSRXPQI-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.57
Rot. Bonds2

About [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72868106) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID72868106
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C14H21N5O/c20-14(18-7-1-2-8-18)19-9-4-12(5-10-19)17-13-3-6-15-11-16-13/h3,6,11-12H,1-2,4-5,7-10H2,(H,15,16,17)
InChIKeyDRGCVNFXSRXPQI-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 72868106) is [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DRGCVNFXSRXPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c20-14(18-7-1-2-8-18)19-9-4-12(5-10-19)17-13-3-6-15-11-16-13/h3,6,11-12H,1-2,4-5,7-10H2,(H,15,16,17).
What are the key properties of [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 275.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrimidin-4-ylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72868106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).