6-methylidene-1H-pyrimidin-5-amine

C5H7N3 — CID 126593515

IUPAC6-methylidene-1H-pyrimidin-5-amine
SMILESC=C1NC=NC=C1N
InChIInChI=1S/C5H7N3/c1-4-5(6)2-7-3-8-4/h2-3H,1,6H2,(H,7,8)
InChIKeyMTQNFAAHUPKQJQ-UHFFFAOYSA-N
MW109.13 g/mol
LogP-0.07
Rot. Bonds

About 6-methylidene-1H-pyrimidin-5-amine

6-methylidene-1H-pyrimidin-5-amine (PubChem CID 126593515) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 6-methylidene-1H-pyrimidin-5-amine.

Molecular Properties

Compound Name6-methylidene-1H-pyrimidin-5-amine
PubChem CID126593515
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name6-methylidene-1H-pyrimidin-5-amine
SMILESC=C1NC=NC=C1N
InChIInChI=1S/C5H7N3/c1-4-5(6)2-7-3-8-4/h2-3H,1,6H2,(H,7,8)
InChIKeyMTQNFAAHUPKQJQ-UHFFFAOYSA-N
XLogP-0.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylene-pyrimidine
CID 45080137
4,7-dihydro-1H-purine
CID 55286487
3,7-Dihydroimidazo[4,5-e][1,3]diazepine
CID 57495515
5-Methylidene-1,4-dihydroimidazole
CID 58182899
(E)-1,4-dihydroimidazol-5-ylidenemethanamine
CID 70120460
1,4-Dihydroimidazol-5-ylidenemethanamine
CID 70120461
4,5-dimethylidene-1H-imidazole
CID 85755021
N-[(Z)-1H-pyrimidin-6-ylidenemethyl]methanimine
CID 88986356
4,5-bis(ethenylidene)-1H-imidazole
CID 118132034
1,4-Dihydropyrimidin-5-amine
CID 123505538
4-N-ethenyl-6-methylidene-1H-pyrimidine-2,4,5-triamine
CID 126593221
1,5-Dihydropyrimido[5,4-d]pyrimidine
CID 142421412

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1H-pyrimidin-5-amine?
The IUPAC name of 6-methylidene-1H-pyrimidin-5-amine (CID 126593515) is 6-methylidene-1H-pyrimidin-5-amine.
What is the SMILES notation for 6-methylidene-1H-pyrimidin-5-amine?
The canonical SMILES for 6-methylidene-1H-pyrimidin-5-amine is C=C1NC=NC=C1N.
What is the InChIKey of 6-methylidene-1H-pyrimidin-5-amine?
The InChIKey is MTQNFAAHUPKQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-4-5(6)2-7-3-8-4/h2-3H,1,6H2,(H,7,8).
What are the key properties of 6-methylidene-1H-pyrimidin-5-amine?
6-methylidene-1H-pyrimidin-5-amine has a molecular weight of 109.13 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1H-pyrimidin-5-amine is sourced from PubChem (CID 126593515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).