aniline;pyrimidin-2-amine

C10H12N4 — CID 160724297

IUPACaniline;pyrimidin-2-amine
SMILESNc1ccccc1.Nc1ncccn1
InChIInChI=1S/C6H7N.C4H5N3/c7-6-4-2-1-3-5-6;5-4-6-2-1-3-7-4/h1-5H,7H2;1-3H,(H2,5,6,7)
InChIKeyRTMURFBIEGSZMK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.33
Rot. Bonds

About aniline;pyrimidin-2-amine

aniline;pyrimidin-2-amine (PubChem CID 160724297) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is aniline;pyrimidin-2-amine.

Molecular Properties

Compound Nameaniline;pyrimidin-2-amine
PubChem CID160724297
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Nameaniline;pyrimidin-2-amine
SMILESNc1ccccc1.Nc1ncccn1
InChIInChI=1S/C6H7N.C4H5N3/c7-6-4-2-1-3-5-6;5-4-6-2-1-3-7-4/h1-5H,7H2;1-3H,(H2,5,6,7)
InChIKeyRTMURFBIEGSZMK-UHFFFAOYSA-N
XLogP1.33
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

pyrimidin-2-amine;toluene
CID 157408891
zinc;aniline;dichloride
CID 70636252
azane;pyrimidin-2-amine
CID 174721479
pyrimidin-2-amine;hydrate
CID 174293375
aniline;quinoxaline
CID 70629272
aniline;azane
CID 171780637
aniline;mercury
CID 54604260
aniline;mercury(2+)
CID 23616182
aniline;niobium
CID 161015220
aniline;carbanide;ethane;yttrium
CID 160556611
aniline;carbanide;hafnium
CID 158735732
magnesium;aniline;carbanide
CID 87207909

Frequently Asked Questions

What is the IUPAC name of aniline;pyrimidin-2-amine?
The IUPAC name of aniline;pyrimidin-2-amine (CID 160724297) is aniline;pyrimidin-2-amine.
What is the SMILES notation for aniline;pyrimidin-2-amine?
The canonical SMILES for aniline;pyrimidin-2-amine is Nc1ccccc1.Nc1ncccn1.
What is the InChIKey of aniline;pyrimidin-2-amine?
The InChIKey is RTMURFBIEGSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H5N3/c7-6-4-2-1-3-5-6;5-4-6-2-1-3-7-4/h1-5H,7H2;1-3H,(H2,5,6,7).
What are the key properties of aniline;pyrimidin-2-amine?
aniline;pyrimidin-2-amine has a molecular weight of 188.23 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;pyrimidin-2-amine is sourced from PubChem (CID 160724297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).