N-prop-2-enyl-1,2-dihydropyrimidin-2-amine

C7H11N3 — CID 70005485

IUPACN-prop-2-enyl-1,2-dihydropyrimidin-2-amine
SMILESC=CCNC1N=CC=CN1
InChIInChI=1S/C7H11N3/c1-2-4-8-7-9-5-3-6-10-7/h2-3,5-9H,1,4H2
InChIKeyNQBWPPMUKOEUOT-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.23
Rot. Bonds3

About N-prop-2-enyl-1,2-dihydropyrimidin-2-amine

N-prop-2-enyl-1,2-dihydropyrimidin-2-amine (PubChem CID 70005485) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-prop-2-enyl-1,2-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1,2-dihydropyrimidin-2-amine
PubChem CID70005485
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-prop-2-enyl-1,2-dihydropyrimidin-2-amine
SMILESC=CCNC1N=CC=CN1
InChIInChI=1S/C7H11N3/c1-2-4-8-7-9-5-3-6-10-7/h2-3,5-9H,1,4H2
InChIKeyNQBWPPMUKOEUOT-UHFFFAOYSA-N
XLogP0.23
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydropyrimidine
CID 1056
Dihydropyrimidinamin
CID 5231612
Pyrimidine, 1,2-dihydro-2-methylene-(9CI)
CID 21458438
N-allyl cytosine
CID 66641504
Dihydropyrimidine hydrochloride
CID 91884946
1H-pyrimidiniumchloride
CID 129648134
N-(aminomethyl)pyrimidine
CID 129708235
2-ethenyl-2-fluoro-1H-pyrimidine
CID 68881557
(z)-1-(4-Amino-2-butenyl)-pyrimidine
CID 129884601
2-Methyl-1,2-dihydropyrimidine
CID 17866876
4,9a-dihydro-1H-pyrazino[1,2-a]pyrimidine
CID 17959315
9,9a-dihydro-6H-pyrimido[1,2-a]pyrimidine
CID 17959341

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1,2-dihydropyrimidin-2-amine?
The IUPAC name of N-prop-2-enyl-1,2-dihydropyrimidin-2-amine (CID 70005485) is N-prop-2-enyl-1,2-dihydropyrimidin-2-amine.
What is the SMILES notation for N-prop-2-enyl-1,2-dihydropyrimidin-2-amine?
The canonical SMILES for N-prop-2-enyl-1,2-dihydropyrimidin-2-amine is C=CCNC1N=CC=CN1.
What is the InChIKey of N-prop-2-enyl-1,2-dihydropyrimidin-2-amine?
The InChIKey is NQBWPPMUKOEUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-4-8-7-9-5-3-6-10-7/h2-3,5-9H,1,4H2.
What are the key properties of N-prop-2-enyl-1,2-dihydropyrimidin-2-amine?
N-prop-2-enyl-1,2-dihydropyrimidin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,2-dihydropyrimidin-2-amine is sourced from PubChem (CID 70005485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).