1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide

C14H28Br2N6O — CID 23349888

IUPAC1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
SMILESBr.Br.Cc1cc(N(C)C)nc(N(CCN(C)C)C(=O)N(C)C)n1
InChIInChI=1S/C14H26N6O.2BrH/c1-11-10-12(18(4)5)16-13(15-11)20(9-8-17(2)3)14(21)19(6)7;;/h10H,8-9H2,1-7H3;2*1H
InChIKeyBLXYTEQVXZSPEJ-UHFFFAOYSA-N
MW456.23 g/mol
LogP2.06
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide

1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide (PubChem CID 23349888) has the molecular formula C14H28Br2N6O and a molecular weight of 456.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
PubChem CID23349888
Molecular FormulaC14H28Br2N6O
Molecular Weight456.23 g/mol
Exact Mass454.07
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
SMILESBr.Br.Cc1cc(N(C)C)nc(N(CCN(C)C)C(=O)N(C)C)n1
InChIInChI=1S/C14H26N6O.2BrH/c1-11-10-12(18(4)5)16-13(15-11)20(9-8-17(2)3)14(21)19(6)7;;/h10H,8-9H2,1-7H3;2*1H
InChIKeyBLXYTEQVXZSPEJ-UHFFFAOYSA-N
XLogP2.06
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide (CID 23349888) is 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide is Br.Br.Cc1cc(N(C)C)nc(N(CCN(C)C)C(=O)N(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide?
The InChIKey is BLXYTEQVXZSPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O.2BrH/c1-11-10-12(18(4)5)16-13(15-11)20(9-8-17(2)3)14(21)19(6)7;;/h10H,8-9H2,1-7H3;2*1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide?
1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide has a molecular weight of 456.23 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide is sourced from PubChem (CID 23349888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).