2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide

C13H22N6O — CID 50963047

IUPAC2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide
SMILESCCNc1ccnc(NC2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C13H22N6O/c1-2-15-12-3-6-16-13(18-12)17-10-4-7-19(8-5-10)9-11(14)20/h3,6,10H,2,4-5,7-9H2,1H3,(H2,14,20)(H2,15,16,17,18)
InChIKeyBKMMCZUQKNYLKK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.27
Rot. Bonds6

About 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide

2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide (PubChem CID 50963047) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide
PubChem CID50963047
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide
SMILESCCNc1ccnc(NC2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C13H22N6O/c1-2-15-12-3-6-16-13(18-12)17-10-4-7-19(8-5-10)9-11(14)20/h3,6,10H,2,4-5,7-9H2,1H3,(H2,14,20)(H2,15,16,17,18)
InChIKeyBKMMCZUQKNYLKK-UHFFFAOYSA-N
XLogP0.27
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide (CID 50963047) is 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide is CCNc1ccnc(NC2CCN(CC(N)=O)CC2)n1.
What is the InChIKey of 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide?
The InChIKey is BKMMCZUQKNYLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-2-15-12-3-6-16-13(18-12)17-10-4-7-19(8-5-10)9-11(14)20/h3,6,10H,2,4-5,7-9H2,1H3,(H2,14,20)(H2,15,16,17,18).
What are the key properties of 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide?
2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 50963047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).