[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

C18H30N6O — CID 53165535

IUPAC[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(c3cncnc3N(C)C)CC2)CC1
InChIInChI=1S/C18H30N6O/c1-4-22-9-11-24(12-10-22)18(25)15-5-7-23(8-6-15)16-13-19-14-20-17(16)21(2)3/h13-15H,4-12H2,1-3H3
InChIKeyPWWVVFQUJUOEQZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.92
Rot. Bonds4

About [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone

[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 53165535) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID53165535
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)C2CCN(c3cncnc3N(C)C)CC2)CC1
InChIInChI=1S/C18H30N6O/c1-4-22-9-11-24(12-10-22)18(25)15-5-7-23(8-6-15)16-13-19-14-20-17(16)21(2)3/h13-15H,4-12H2,1-3H3
InChIKeyPWWVVFQUJUOEQZ-UHFFFAOYSA-N
XLogP0.92
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone (CID 53165535) is [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)C2CCN(c3cncnc3N(C)C)CC2)CC1.
What is the InChIKey of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is PWWVVFQUJUOEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-4-22-9-11-24(12-10-22)18(25)15-5-7-23(8-6-15)16-13-19-14-20-17(16)21(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 53165535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).