1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide

C15H27BrN4O — CID 12857662

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide
SMILESBr.Cc1cc(C)nc(N(CCNC(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C15H26N4O.BrH/c1-11(2)16-7-8-19(15(20)18(5)6)14-10-12(3)9-13(4)17-14;/h9-11,16H,7-8H2,1-6H3;1H
InChIKeyLGAKIIZXAVRVFO-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.76
Rot. Bonds5

About 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide

1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide (PubChem CID 12857662) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide
PubChem CID12857662
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide
SMILESBr.Cc1cc(C)nc(N(CCNC(C)C)C(=O)N(C)C)c1
InChIInChI=1S/C15H26N4O.BrH/c1-11(2)16-7-8-19(15(20)18(5)6)14-10-12(3)9-13(4)17-14;/h9-11,16H,7-8H2,1-6H3;1H
InChIKeyLGAKIIZXAVRVFO-UHFFFAOYSA-N
XLogP2.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide (CID 12857662) is 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide is Br.Cc1cc(C)nc(N(CCNC(C)C)C(=O)N(C)C)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide?
The InChIKey is LGAKIIZXAVRVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.BrH/c1-11(2)16-7-8-19(15(20)18(5)6)14-10-12(3)9-13(4)17-14;/h9-11,16H,7-8H2,1-6H3;1H.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide?
1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide has a molecular weight of 359.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethyl-1-[2-(propan-2-ylamino)ethyl]urea;hydrobromide is sourced from PubChem (CID 12857662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).