5-[(prop-2-enylamino)methyl]pyrimidin-2-amine

C8H12N4 — CID 102536121

IUPAC5-[(prop-2-enylamino)methyl]pyrimidin-2-amine
SMILESC=CCNCc1cnc(N)nc1
InChIInChI=1S/C8H12N4/c1-2-3-10-4-7-5-11-8(9)12-6-7/h2,5-6,10H,1,3-4H2,(H2,9,11,12)
InChIKeyWOHPYPHFCUFKOK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.33
Rot. Bonds4

About 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine

5-[(prop-2-enylamino)methyl]pyrimidin-2-amine (PubChem CID 102536121) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(prop-2-enylamino)methyl]pyrimidin-2-amine
PubChem CID102536121
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-[(prop-2-enylamino)methyl]pyrimidin-2-amine
SMILESC=CCNCc1cnc(N)nc1
InChIInChI=1S/C8H12N4/c1-2-3-10-4-7-5-11-8(9)12-6-7/h2,5-6,10H,1,3-4H2,(H2,9,11,12)
InChIKeyWOHPYPHFCUFKOK-UHFFFAOYSA-N
XLogP0.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-ethylhex-5-enylamino)methyl]pyrimidin-2-amine
CID 134232433
5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine
CID 131206977
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536124
N-benzylprop-2-en-1-amine;2-phenylethanamine
CID 70268529
4-[(prop-2-enylamino)methyl]benzamide
CID 28563456
5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
CID 102536146
5-(iodomethyl)pyrimidin-2-amine
CID 163601218
N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
CID 54849975
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291776
N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine
CID 62758916

Frequently Asked Questions

What is the IUPAC name of 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine?
The IUPAC name of 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine (CID 102536121) is 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine is C=CCNCc1cnc(N)nc1.
What is the InChIKey of 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine?
The InChIKey is WOHPYPHFCUFKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-2-3-10-4-7-5-11-8(9)12-6-7/h2,5-6,10H,1,3-4H2,(H2,9,11,12).
What are the key properties of 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine?
5-[(prop-2-enylamino)methyl]pyrimidin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(prop-2-enylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).