3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide

C17H29N5O — CID 53188505

IUPAC3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC(C)C)CC2)ncn1
InChIInChI=1S/C17H29N5O/c1-4-18-15-11-16(20-12-19-15)22-9-7-14(8-10-22)5-6-17(23)21-13(2)3/h11-14H,4-10H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyRKEHHWNFFAKPHW-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.43
Rot. Bonds7

About 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide (PubChem CID 53188505) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide
PubChem CID53188505
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide
SMILESCCNc1cc(N2CCC(CCC(=O)NC(C)C)CC2)ncn1
InChIInChI=1S/C17H29N5O/c1-4-18-15-11-16(20-12-19-15)22-9-7-14(8-10-22)5-6-17(23)21-13(2)3/h11-14H,4-10H2,1-3H3,(H,21,23)(H,18,19,20)
InChIKeyRKEHHWNFFAKPHW-UHFFFAOYSA-N
XLogP2.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide (CID 53188505) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide is CCNc1cc(N2CCC(CCC(=O)NC(C)C)CC2)ncn1.
What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
The InChIKey is RKEHHWNFFAKPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-18-15-11-16(20-12-19-15)22-9-7-14(8-10-22)5-6-17(23)21-13(2)3/h11-14H,4-10H2,1-3H3,(H,21,23)(H,18,19,20).
What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 53188505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).