[5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium

C7H11N4+ — CID 123788079

IUPAC[5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium
SMILESC#[N+]C1=C(N(C)C)CN=CN1
InChIInChI=1S/C7H11N4/c1-8-7-6(11(2)3)4-9-5-10-7/h1,5H,4H2,2-3H3,(H,9,10)/q+1
InChIKeyPNDGPAFKFFOLFS-UHFFFAOYSA-N
MW151.19 g/mol
LogP0.31
Rot. Bonds1

About [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium

[5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium (PubChem CID 123788079) has the molecular formula C7H11N4+ and a molecular weight of 151.19 g/mol. Its IUPAC name is [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium.

Molecular Properties

Compound Name[5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium
PubChem CID123788079
Molecular FormulaC7H11N4+
Molecular Weight151.19 g/mol
Exact Mass151.10
IUPAC Name[5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium
SMILESC#[N+]C1=C(N(C)C)CN=CN1
InChIInChI=1S/C7H11N4/c1-8-7-6(11(2)3)4-9-5-10-7/h1,5H,4H2,2-3H3,(H,9,10)/q+1
InChIKeyPNDGPAFKFFOLFS-UHFFFAOYSA-N
XLogP0.31
TPSA31.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-Methyl-1,2,3,4-tetrahydropurin-6-amine
CID 171344344
(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine
CID 126756043
N-[(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-yl]methanimine
CID 137483626
N-methyl-6-(methylideneamino)-1,4-dihydropyrimidin-5-amine
CID 123175950
N-(4-amino-3-methyl-4H-pyrimidin-5-yl)-N'-methylmethanimidamide
CID 141790485
N-[6-(methylideneamino)-1,4-dihydropyrimidin-5-yl]methanimine
CID 145132441
4-N,4-dimethyl-1H-pyrimidine-4,5,6-triamine
CID 149647618
6-N-methyl-1,4-dihydropyrimidine-5,6-diamine
CID 170101546
9-Ethyl-1,4-dihydropurin-6-amine
CID 5185850
N,N-dimethyl-4,7-dihydro-1H-purin-6-amine
CID 129932773
9-Methyl-3,6,7,8-tetrahydropurin-6-amine
CID 141790517
1,2,2,4,9-Pentadeuterio-3-ethylpurin-6-amine
CID 170991274

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium?
The IUPAC name of [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium (CID 123788079) is [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium.
What is the SMILES notation for [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium?
The canonical SMILES for [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium is C#[N+]C1=C(N(C)C)CN=CN1.
What is the InChIKey of [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium?
The InChIKey is PNDGPAFKFFOLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N4/c1-8-7-6(11(2)3)4-9-5-10-7/h1,5H,4H2,2-3H3,(H,9,10)/q+1.
What are the key properties of [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium?
[5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium has a molecular weight of 151.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-1,4-dihydropyrimidin-6-yl]-methylidyneazanium is sourced from PubChem (CID 123788079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).